4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C349H411Cl2F15N64O13 — CID 158989072

IUPAC4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCC1CNCCN1Cc1ccc(C)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNC1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(Cl)c5[nH]cc(Cl)c5c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(F)(F)F)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.Cc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C30H40N4O.2C28H32N8O2.C27H30Cl2N6.C27H31F3N4O.C27H30F2N4O2.C27H32F2N4.C27H34N4O.C26H29F3N4O.2C26H30F2N4.C26H31N5O2.C24H30FN5O/c1-21-19-34(22(2)18-32-21)20-24-9-6-10-25(16-24)27-14-15-31-29(33-27)11-7-8-23-12-13-28(35)26(17-23)30(3,4)5;2*1-19-16-30-25(26(38)15-28-32-34-35-33-28)18-36(19)17-21-5-2-6-22(14-21)24-12-13-29-27(31-24)7-3-4-20-8-10-23(37)11-9-20;1-17-15-35(18(2)13-32-17)16-20-4-3-5-21(10-20)25-7-9-31-27(34-25)30-8-6-19-11-22-24(29)14-33-26(22)23(28)12-19;1-18-16-34(19(2)15-32-18)17-21-6-3-7-22(13-21)24-11-12-31-26(33-24)8-4-5-20-9-10-25(35)23(14-20)27(28,29)30;28-22-14-19(15-23(29)16-22)3-2-6-26-31-10-9-25(32-26)21-5-1-4-20(13-21)18-33-12-11-30-17-24(33)7-8-27(34)35;1-3-24-17-30-11-12-33(24)18-21-8-7-19(2)25(15-21)26-9-10-31-27(32-26)6-4-5-20-13-22(28)16-23(29)14-20;1-3-31(24-13-15-28-19-24)20-22-9-4-10-23(17-22)26-14-16-29-27(30-26)12-6-8-21-7-5-11-25(18-21)32-2;1-18-15-31-24(26(27,28)29)17-33(18)16-20-5-2-6-21(14-20)23-12-13-30-25(32-23)7-3-4-19-8-10-22(34)11-9-19;1-18-16-29-11-12-32(18)17-21-6-4-7-24(19(21)2)25-9-10-30-26(31-25)8-3-5-20-13-22(27)15-23(28)14-20;1-18-6-7-21(17-32-11-10-29-16-19(32)2)14-24(18)25-8-9-30-26(31-25)5-3-4-20-12-22(27)15-23(28)13-20;1-18-15-29-24(26(27)33)17-31(18)16-20-5-2-6-21(14-20)23-12-13-28-25(30-23)7-3-4-19-8-10-22(32)11-9-19;1-2-30(14-4-12-26)17-19-5-3-6-20(15-19)23-28-16-22(25)24(29-23)27-13-11-18-7-9-21(31)10-8-18/h6,9-10,12-17,21-22,32,35H,7-8,11,18-20H2,1-5H3;2*2,5-6,8-14,19,25,28,30,37H,3-4,7,15-18H2,1H3;3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);3,6-7,9-14,18-19,32,35H,4-5,8,15-17H2,1-2H3;1,4-5,9-10,13-16,24,30H,2-3,6-8,11-12,17-18H2,(H,34,35);7-10,13-16,24,30H,3-6,11-12,17-18H2,1-2H3;4-5,7,9-11,14,16-18,24,28H,3,6,8,12-13,15,19-20H2,1-2H3;2,5-6,8-14,18,24,31,34H,3-4,7,15-17H2,1H3;4,6-7,9-10,13-15,18,29H,3,5,8,11-12,16-17H2,1-2H3;6-9,12-15,19,29H,3-5,10-11,16-17H2,1-2H3;2,5-6,8-14,18,24,29,32H,3-4,7,15-17H2,1H3,(H2,27,33);3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t21-,22-;19-,25+;19-,25-;17-,18-;18-,19-;;;;18-,24+;18-;19-;18-,24+;/m00000...0000./s1
InChIKeyJPYBINGUEOGWFI-QTTGFBDESA-N
MW6066.44 g/mol
LogP59.58
Rot. Bonds109

About 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158989072) has the molecular formula C349H411Cl2F15N64O13 and a molecular weight of 6066.44 g/mol. Its IUPAC name is 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID158989072
Molecular FormulaC349H411Cl2F15N64O13
Molecular Weight6066.44 g/mol
Exact Mass6061.26
IUPAC Name4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCC1CNCCN1Cc1ccc(C)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNC1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(Cl)c5[nH]cc(Cl)c5c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(F)(F)F)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.Cc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C30H40N4O.2C28H32N8O2.C27H30Cl2N6.C27H31F3N4O.C27H30F2N4O2.C27H32F2N4.C27H34N4O.C26H29F3N4O.2C26H30F2N4.C26H31N5O2.C24H30FN5O/c1-21-19-34(22(2)18-32-21)20-24-9-6-10-25(16-24)27-14-15-31-29(33-27)11-7-8-23-12-13-28(35)26(17-23)30(3,4)5;2*1-19-16-30-25(26(38)15-28-32-34-35-33-28)18-36(19)17-21-5-2-6-22(14-21)24-12-13-29-27(31-24)7-3-4-20-8-10-23(37)11-9-20;1-17-15-35(18(2)13-32-17)16-20-4-3-5-21(10-20)25-7-9-31-27(34-25)30-8-6-19-11-22-24(29)14-33-26(22)23(28)12-19;1-18-16-34(19(2)15-32-18)17-21-6-3-7-22(13-21)24-11-12-31-26(33-24)8-4-5-20-9-10-25(35)23(14-20)27(28,29)30;28-22-14-19(15-23(29)16-22)3-2-6-26-31-10-9-25(32-26)21-5-1-4-20(13-21)18-33-12-11-30-17-24(33)7-8-27(34)35;1-3-24-17-30-11-12-33(24)18-21-8-7-19(2)25(15-21)26-9-10-31-27(32-26)6-4-5-20-13-22(28)16-23(29)14-20;1-3-31(24-13-15-28-19-24)20-22-9-4-10-23(17-22)26-14-16-29-27(30-26)12-6-8-21-7-5-11-25(18-21)32-2;1-18-15-31-24(26(27,28)29)17-33(18)16-20-5-2-6-21(14-20)23-12-13-30-25(32-23)7-3-4-19-8-10-22(34)11-9-19;1-18-16-29-11-12-32(18)17-21-6-4-7-24(19(21)2)25-9-10-30-26(31-25)8-3-5-20-13-22(27)15-23(28)14-20;1-18-6-7-21(17-32-11-10-29-16-19(32)2)14-24(18)25-8-9-30-26(31-25)5-3-4-20-12-22(27)15-23(28)13-20;1-18-15-29-24(26(27)33)17-31(18)16-20-5-2-6-21(14-20)23-12-13-28-25(30-23)7-3-4-19-8-10-22(32)11-9-19;1-2-30(14-4-12-26)17-19-5-3-6-20(15-19)23-28-16-22(25)24(29-23)27-13-11-18-7-9-21(31)10-8-18/h6,9-10,12-17,21-22,32,35H,7-8,11,18-20H2,1-5H3;2*2,5-6,8-14,19,25,28,30,37H,3-4,7,15-18H2,1H3;3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);3,6-7,9-14,18-19,32,35H,4-5,8,15-17H2,1-2H3;1,4-5,9-10,13-16,24,30H,2-3,6-8,11-12,17-18H2,(H,34,35);7-10,13-16,24,30H,3-6,11-12,17-18H2,1-2H3;4-5,7,9-11,14,16-18,24,28H,3,6,8,12-13,15,19-20H2,1-2H3;2,5-6,8-14,18,24,31,34H,3-4,7,15-17H2,1H3;4,6-7,9-10,13-15,18,29H,3,5,8,11-12,16-17H2,1-2H3;6-9,12-15,19,29H,3-5,10-11,16-17H2,1-2H3;2,5-6,8-14,18,24,29,32H,3-4,7,15-17H2,1H3,(H2,27,33);3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t21-,22-;19-,25+;19-,25-;17-,18-;18-,19-;;;;18-,24+;18-;19-;18-,24+;/m00000...0000./s1
InChIKeyJPYBINGUEOGWFI-QTTGFBDESA-N
XLogP59.58
TPSA951.74 Ų
H-Bond Donors25
H-Bond Acceptors74
Rotatable Bonds109
Heavy Atoms443
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006066.44
LogP ≤ 559.58
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1074

Analyze 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 158989072) is 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CCC1CNCCN1Cc1ccc(C)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNC1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(Cl)c5[nH]cc(Cl)c5c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(F)(F)F)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.Cc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.
What is the InChIKey of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is JPYBINGUEOGWFI-QTTGFBDESA-N. The full InChI is InChI=1S/C30H40N4O.2C28H32N8O2.C27H30Cl2N6.C27H31F3N4O.C27H30F2N4O2.C27H32F2N4.C27H34N4O.C26H29F3N4O.2C26H30F2N4.C26H31N5O2.C24H30FN5O/c1-21-19-34(22(2)18-32-21)20-24-9-6-10-25(16-24)27-14-15-31-29(33-27)11-7-8-23-12-13-28(35)26(17-23)30(3,4)5;2*1-19-16-30-25(26(38)15-28-32-34-35-33-28)18-36(19)17-21-5-2-6-22(14-21)24-12-13-29-27(31-24)7-3-4-20-8-10-23(37)11-9-20;1-17-15-35(18(2)13-32-17)16-20-4-3-5-21(10-20)25-7-9-31-27(34-25)30-8-6-19-11-22-24(29)14-33-26(22)23(28)12-19;1-18-16-34(19(2)15-32-18)17-21-6-3-7-22(13-21)24-11-12-31-26(33-24)8-4-5-20-9-10-25(35)23(14-20)27(28,29)30;28-22-14-19(15-23(29)16-22)3-2-6-26-31-10-9-25(32-26)21-5-1-4-20(13-21)18-33-12-11-30-17-24(33)7-8-27(34)35;1-3-24-17-30-11-12-33(24)18-21-8-7-19(2)25(15-21)26-9-10-31-27(32-26)6-4-5-20-13-22(28)16-23(29)14-20;1-3-31(24-13-15-28-19-24)20-22-9-4-10-23(17-22)26-14-16-29-27(30-26)12-6-8-21-7-5-11-25(18-21)32-2;1-18-15-31-24(26(27,28)29)17-33(18)16-20-5-2-6-21(14-20)23-12-13-30-25(32-23)7-3-4-19-8-10-22(34)11-9-19;1-18-16-29-11-12-32(18)17-21-6-4-7-24(19(21)2)25-9-10-30-26(31-25)8-3-5-20-13-22(27)15-23(28)14-20;1-18-6-7-21(17-32-11-10-29-16-19(32)2)14-24(18)25-8-9-30-26(31-25)5-3-4-20-12-22(27)15-23(28)13-20;1-18-15-29-24(26(27)33)17-31(18)16-20-5-2-6-21(14-20)23-12-13-28-25(30-23)7-3-4-19-8-10-22(32)11-9-19;1-2-30(14-4-12-26)17-19-5-3-6-20(15-19)23-28-16-22(25)24(29-23)27-13-11-18-7-9-21(31)10-8-18/h6,9-10,12-17,21-22,32,35H,7-8,11,18-20H2,1-5H3;2*2,5-6,8-14,19,25,28,30,37H,3-4,7,15-18H2,1H3;3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);3,6-7,9-14,18-19,32,35H,4-5,8,15-17H2,1-2H3;1,4-5,9-10,13-16,24,30H,2-3,6-8,11-12,17-18H2,(H,34,35);7-10,13-16,24,30H,3-6,11-12,17-18H2,1-2H3;4-5,7,9-11,14,16-18,24,28H,3,6,8,12-13,15,19-20H2,1-2H3;2,5-6,8-14,18,24,31,34H,3-4,7,15-17H2,1H3;4,6-7,9-10,13-15,18,29H,3,5,8,11-12,16-17H2,1-2H3;6-9,12-15,19,29H,3-5,10-11,16-17H2,1-2H3;2,5-6,8-14,18,24,29,32H,3-4,7,15-17H2,1H3,(H2,27,33);3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t21-,22-;19-,25+;19-,25-;17-,18-;18-,19-;;;;18-,24+;18-;19-;18-,24+;/m00000...0000./s1.
What are the key properties of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 6066.44 g/mol, XLogP of 59.58, 109 rotatable bonds, 25 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;3-[1-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158989072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).