4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C204H239Cl2F12N41O5 — CID 159959552

IUPAC4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCC1CNCCN1Cc1ccc(C)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(OC)c3)n2)c1)C1CCNC1.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(F)(F)F)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.Cc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C27H30Cl2N6.C26H29F2N5O2.C26H31F2N5.C26H33N5O.C25H28F3N5O.2C25H29F2N5.C24H30FN5O/c1-17-15-35(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;27-21-13-18(14-22(28)15-21)6-8-30-26-31-9-7-24(32-26)20-3-1-2-19(12-20)17-33-11-10-29-16-23(33)4-5-25(34)35;1-3-23-16-29-10-11-33(23)17-20-5-4-18(2)24(14-20)25-7-9-31-26(32-25)30-8-6-19-12-21(27)15-22(28)13-19;1-3-31(23-11-13-27-18-23)19-21-7-4-8-22(16-21)25-12-15-29-26(30-25)28-14-10-20-6-5-9-24(17-20)32-2;1-17-14-31-23(25(26,27)28)16-33(17)15-19-3-2-4-20(13-19)22-10-12-30-24(32-22)29-11-9-18-5-7-21(34)8-6-18;1-17-3-4-20(16-32-10-9-28-15-18(32)2)13-23(17)24-6-8-30-25(31-24)29-7-5-19-11-21(26)14-22(27)12-19;1-17-15-28-10-11-32(17)16-20-4-3-5-23(18(20)2)24-7-9-30-25(31-24)29-8-6-19-12-21(26)14-22(27)13-19;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/h3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);1-3,7,9,12-15,23,29H,4-6,8,10-11,16-17H2,(H,34,35)(H,30,31,32);4-5,7,9,12-15,23,29H,3,6,8,10-11,16-17H2,1-2H3,(H,30,31,32);4-9,12,15-17,23,27H,3,10-11,13-14,18-19H2,1-2H3,(H,28,29,30);2-8,10,12-13,17,23,31,34H,9,11,14-16H2,1H3,(H,29,30,32);3-4,6,8,11-14,18,28H,5,7,9-10,15-16H2,1-2H3,(H,29,30,31);3-5,7,9,12-14,17,28H,6,8,10-11,15-16H2,1-2H3,(H,29,30,31);3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t17-,18-;;;;17-,23+;18-;17-;/m0...000./s1
InChIKeyODDNSQGANIQYBZ-QYHZWTOGSA-N
MW3644.32 g/mol
LogP34.44
Rot. Bonds67

About 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 159959552) has the molecular formula C204H239Cl2F12N41O5 and a molecular weight of 3644.32 g/mol. Its IUPAC name is 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID159959552
Molecular FormulaC204H239Cl2F12N41O5
Molecular Weight3644.32 g/mol
Exact Mass3640.89
IUPAC Name4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCC1CNCCN1Cc1ccc(C)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(OC)c3)n2)c1)C1CCNC1.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(F)(F)F)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.Cc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C27H30Cl2N6.C26H29F2N5O2.C26H31F2N5.C26H33N5O.C25H28F3N5O.2C25H29F2N5.C24H30FN5O/c1-17-15-35(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;27-21-13-18(14-22(28)15-21)6-8-30-26-31-9-7-24(32-26)20-3-1-2-19(12-20)17-33-11-10-29-16-23(33)4-5-25(34)35;1-3-23-16-29-10-11-33(23)17-20-5-4-18(2)24(14-20)25-7-9-31-26(32-25)30-8-6-19-12-21(27)15-22(28)13-19;1-3-31(23-11-13-27-18-23)19-21-7-4-8-22(16-21)25-12-15-29-26(30-25)28-14-10-20-6-5-9-24(17-20)32-2;1-17-14-31-23(25(26,27)28)16-33(17)15-19-3-2-4-20(13-19)22-10-12-30-24(32-22)29-11-9-18-5-7-21(34)8-6-18;1-17-3-4-20(16-32-10-9-28-15-18(32)2)13-23(17)24-6-8-30-25(31-24)29-7-5-19-11-21(26)14-22(27)12-19;1-17-15-28-10-11-32(17)16-20-4-3-5-23(18(20)2)24-7-9-30-25(31-24)29-8-6-19-12-21(26)14-22(27)13-19;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/h3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);1-3,7,9,12-15,23,29H,4-6,8,10-11,16-17H2,(H,34,35)(H,30,31,32);4-5,7,9,12-15,23,29H,3,6,8,10-11,16-17H2,1-2H3,(H,30,31,32);4-9,12,15-17,23,27H,3,10-11,13-14,18-19H2,1-2H3,(H,28,29,30);2-8,10,12-13,17,23,31,34H,9,11,14-16H2,1H3,(H,29,30,32);3-4,6,8,11-14,18,28H,5,7,9-10,15-16H2,1-2H3,(H,29,30,31);3-5,7,9,12-14,17,28H,6,8,10-11,15-16H2,1-2H3,(H,29,30,31);3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t17-,18-;;;;17-,23+;18-;17-;/m0...000./s1
InChIKeyODDNSQGANIQYBZ-QYHZWTOGSA-N
XLogP34.44
TPSA541.41 Ų
H-Bond Donors20
H-Bond Acceptors44
Rotatable Bonds67
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003644.32
LogP ≤ 534.44
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1044

Analyze 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157324139
CID 158989072
CID 158989072
(3S)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpyrrolidin-3-amine;3-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;3-[1-[[3-[2-[3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[4-methyl-3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
CID 158151834
4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;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-[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;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine
CID 158829394
2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;3-[1-[[3-[2-[3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[4-methyl-3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
CID 159083768
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;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 159401032
2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine;3-[1-[[3-[2-[3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;4-[3-[4-[4-methyl-3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
CID 160140890
4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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-[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;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]pyrrolidin-3-amine
CID 161335334

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;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 159959552) is 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is CCC1CNCCN1Cc1ccc(C)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(OC)c3)n2)c1)C1CCNC1.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(F)(F)F)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.Cc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3cc(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;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is ODDNSQGANIQYBZ-QYHZWTOGSA-N. The full InChI is InChI=1S/C27H30Cl2N6.C26H29F2N5O2.C26H31F2N5.C26H33N5O.C25H28F3N5O.2C25H29F2N5.C24H30FN5O/c1-17-15-35(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;27-21-13-18(14-22(28)15-21)6-8-30-26-31-9-7-24(32-26)20-3-1-2-19(12-20)17-33-11-10-29-16-23(33)4-5-25(34)35;1-3-23-16-29-10-11-33(23)17-20-5-4-18(2)24(14-20)25-7-9-31-26(32-25)30-8-6-19-12-21(27)15-22(28)13-19;1-3-31(23-11-13-27-18-23)19-21-7-4-8-22(16-21)25-12-15-29-26(30-25)28-14-10-20-6-5-9-24(17-20)32-2;1-17-14-31-23(25(26,27)28)16-33(17)15-19-3-2-4-20(13-19)22-10-12-30-24(32-22)29-11-9-18-5-7-21(34)8-6-18;1-17-3-4-20(16-32-10-9-28-15-18(32)2)13-23(17)24-6-8-30-25(31-24)29-7-5-19-11-21(26)14-22(27)12-19;1-17-15-28-10-11-32(17)16-20-4-3-5-23(18(20)2)24-7-9-30-25(31-24)29-8-6-19-12-21(26)14-22(27)13-19;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/h3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);1-3,7,9,12-15,23,29H,4-6,8,10-11,16-17H2,(H,34,35)(H,30,31,32);4-5,7,9,12-15,23,29H,3,6,8,10-11,16-17H2,1-2H3,(H,30,31,32);4-9,12,15-17,23,27H,3,10-11,13-14,18-19H2,1-2H3,(H,28,29,30);2-8,10,12-13,17,23,31,34H,9,11,14-16H2,1H3,(H,29,30,32);3-4,6,8,11-14,18,28H,5,7,9-10,15-16H2,1-2H3,(H,29,30,31);3-5,7,9,12-14,17,28H,6,8,10-11,15-16H2,1-2H3,(H,29,30,31);3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t17-,18-;;;;17-,23+;18-;17-;/m0...000./s1.
What are the key properties of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]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;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 3644.32 g/mol, XLogP of 34.44, 67 rotatable bonds, 20 hydrogen bond donors, and 44 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;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 159959552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).