4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol

C278H327Cl5F12N42O10S — CID 158132071

IUPAC4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)c(Cl)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)c(F)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)cc3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3cccc(Cl)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)c(Cl)c3)ncc2F)c1)C1CCNCC1.Oc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1.Oc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.Oc1ccc(CCCc2nccc(-c3cccc(NC4CCNCC4)c3)n2)cc1.Oc1ccc(CCCc2nccc(-c3cccc(NC4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/C27H32F2N4.C26H30ClFN4O3S.C26H29ClFN3O.C26H30FN3O.C25H30ClFN4O.C25H30ClFN4.C25H30F2N4O.C25H30F2N4.C25H31FN4O.C24H27ClN4O.C24H28N4O/c1-2-33(25-9-12-30-13-10-25)19-21-6-3-7-22(15-21)26-11-14-31-27(32-26)8-4-5-20-16-23(28)18-24(29)17-20;1-36(34,35)32(21-10-12-29-13-11-21)17-19-5-2-6-20(14-19)26-23(28)16-30-25(31-26)7-3-4-18-8-9-24(33)22(27)15-18;27-22-16-20(9-10-24(22)32)4-2-6-25-30-17-23(28)26(31-25)21-5-1-3-19(15-21)8-7-18-11-13-29-14-12-18;27-24-18-29-25(6-2-3-19-9-11-23(31)12-10-19)30-26(24)22-5-1-4-21(17-22)8-7-20-13-15-28-16-14-20;1-2-31(13-5-12-28)17-19-7-3-8-20(14-19)25-22(27)16-29-24(30-25)9-4-6-18-10-11-23(32)21(26)15-18;1-2-31(14-6-13-28)18-20-9-3-10-21(15-20)25-23(27)17-29-24(30-25)12-5-8-19-7-4-11-22(26)16-19;1-2-31(13-5-12-28)17-19-7-3-8-20(14-19)25-22(27)16-29-24(30-25)9-4-6-18-10-11-23(32)21(26)15-18;1-2-31(14-6-13-28)18-20-9-3-10-21(15-20)25-23(27)17-29-24(30-25)12-5-8-19-7-4-11-22(26)16-19;1-2-30(15-5-14-27)18-20-7-3-8-21(16-20)25-23(26)17-28-24(29-25)9-4-6-19-10-12-22(31)13-11-19;25-21-15-17(7-8-23(21)30)3-1-6-24-27-14-11-22(29-24)18-4-2-5-20(16-18)28-19-9-12-26-13-10-19;29-22-9-7-18(8-10-22)3-1-6-24-26-16-13-23(28-24)19-4-2-5-21(17-19)27-20-11-14-25-15-12-20/h3,6-7,11,14-18,25,30H,2,4-5,8-10,12-13,19H2,1H3;2,5-6,8-9,14-16,21,29,33H,3-4,7,10-13,17H2,1H3;1,3,5,9-10,15-18,29,32H,2,4,6-8,11-14H2;1,4-5,9-12,17-18,20,28,31H,2-3,6-8,13-16H2;3,7-8,10-11,14-16,32H,2,4-6,9,12-13,17,28H2,1H3;3-4,7,9-11,15-17H,2,5-6,8,12-14,18,28H2,1H3;3,7-8,10-11,14-16,32H,2,4-6,9,12-13,17,28H2,1H3;3-4,7,9-11,15-17H,2,5-6,8,12-14,18,28H2,1H3;3,7-8,10-13,16-17,31H,2,4-6,9,14-15,18,27H2,1H3;2,4-5,7-8,11,14-16,19,26,28,30H,1,3,6,9-10,12-13H2;2,4-5,7-10,13,16-17,20,25,27,29H,1,3,6,11-12,14-15H2
InChIKeyFSWZSAZKMDKEHW-UHFFFAOYSA-N
MW4854.27 g/mol
LogP53.22
Rot. Bonds103

About 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol

4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158132071) has the molecular formula C278H327Cl5F12N42O10S and a molecular weight of 4854.27 g/mol. Its IUPAC name is 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID158132071
Molecular FormulaC278H327Cl5F12N42O10S
Molecular Weight4854.27 g/mol
Exact Mass4848.43
IUPAC Name4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)c(Cl)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)c(F)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)cc3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3cccc(Cl)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)c(Cl)c3)ncc2F)c1)C1CCNCC1.Oc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1.Oc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.Oc1ccc(CCCc2nccc(-c3cccc(NC4CCNCC4)c3)n2)cc1.Oc1ccc(CCCc2nccc(-c3cccc(NC4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/C27H32F2N4.C26H30ClFN4O3S.C26H29ClFN3O.C26H30FN3O.C25H30ClFN4O.C25H30ClFN4.C25H30F2N4O.C25H30F2N4.C25H31FN4O.C24H27ClN4O.C24H28N4O/c1-2-33(25-9-12-30-13-10-25)19-21-6-3-7-22(15-21)26-11-14-31-27(32-26)8-4-5-20-16-23(28)18-24(29)17-20;1-36(34,35)32(21-10-12-29-13-11-21)17-19-5-2-6-20(14-19)26-23(28)16-30-25(31-26)7-3-4-18-8-9-24(33)22(27)15-18;27-22-16-20(9-10-24(22)32)4-2-6-25-30-17-23(28)26(31-25)21-5-1-3-19(15-21)8-7-18-11-13-29-14-12-18;27-24-18-29-25(6-2-3-19-9-11-23(31)12-10-19)30-26(24)22-5-1-4-21(17-22)8-7-20-13-15-28-16-14-20;1-2-31(13-5-12-28)17-19-7-3-8-20(14-19)25-22(27)16-29-24(30-25)9-4-6-18-10-11-23(32)21(26)15-18;1-2-31(14-6-13-28)18-20-9-3-10-21(15-20)25-23(27)17-29-24(30-25)12-5-8-19-7-4-11-22(26)16-19;1-2-31(13-5-12-28)17-19-7-3-8-20(14-19)25-22(27)16-29-24(30-25)9-4-6-18-10-11-23(32)21(26)15-18;1-2-31(14-6-13-28)18-20-9-3-10-21(15-20)25-23(27)17-29-24(30-25)12-5-8-19-7-4-11-22(26)16-19;1-2-30(15-5-14-27)18-20-7-3-8-21(16-20)25-23(26)17-28-24(29-25)9-4-6-19-10-12-22(31)13-11-19;25-21-15-17(7-8-23(21)30)3-1-6-24-27-14-11-22(29-24)18-4-2-5-20(16-18)28-19-9-12-26-13-10-19;29-22-9-7-18(8-10-22)3-1-6-24-26-16-13-23(28-24)19-4-2-5-21(17-19)27-20-11-14-25-15-12-20/h3,6-7,11,14-18,25,30H,2,4-5,8-10,12-13,19H2,1H3;2,5-6,8-9,14-16,21,29,33H,3-4,7,10-13,17H2,1H3;1,3,5,9-10,15-18,29,32H,2,4,6-8,11-14H2;1,4-5,9-12,17-18,20,28,31H,2-3,6-8,13-16H2;3,7-8,10-11,14-16,32H,2,4-6,9,12-13,17,28H2,1H3;3-4,7,9-11,15-17H,2,5-6,8,12-14,18,28H2,1H3;3,7-8,10-11,14-16,32H,2,4-6,9,12-13,17,28H2,1H3;3-4,7,9-11,15-17H,2,5-6,8,12-14,18,28H2,1H3;3,7-8,10-13,16-17,31H,2,4-6,9,14-15,18,27H2,1H3;2,4-5,7-8,11,14-16,19,26,28,30H,1,3,6,9-10,12-13H2;2,4-5,7-10,13,16-17,20,25,27,29H,1,3,6,11-12,14-15H2
InChIKeyFSWZSAZKMDKEHW-UHFFFAOYSA-N
XLogP53.22
TPSA728.58 Ų
H-Bond Donors21
H-Bond Acceptors51
Rotatable Bonds103
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004854.27
LogP ≤ 553.22
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1051

Analyze 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol (CID 158132071) is 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol is CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)c(Cl)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)c(F)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3ccc(O)cc3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3cccc(Cl)c3)ncc2F)c1.CCN(CCCN)Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)c(Cl)c3)ncc2F)c1)C1CCNCC1.Oc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1.Oc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.Oc1ccc(CCCc2nccc(-c3cccc(NC4CCNCC4)c3)n2)cc1.Oc1ccc(CCCc2nccc(-c3cccc(NC4CCNCC4)c3)n2)cc1Cl.
What is the InChIKey of 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is FSWZSAZKMDKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4.C26H30ClFN4O3S.C26H29ClFN3O.C26H30FN3O.C25H30ClFN4O.C25H30ClFN4.C25H30F2N4O.C25H30F2N4.C25H31FN4O.C24H27ClN4O.C24H28N4O/c1-2-33(25-9-12-30-13-10-25)19-21-6-3-7-22(15-21)26-11-14-31-27(32-26)8-4-5-20-16-23(28)18-24(29)17-20;1-36(34,35)32(21-10-12-29-13-11-21)17-19-5-2-6-20(14-19)26-23(28)16-30-25(31-26)7-3-4-18-8-9-24(33)22(27)15-18;27-22-16-20(9-10-24(22)32)4-2-6-25-30-17-23(28)26(31-25)21-5-1-3-19(15-21)8-7-18-11-13-29-14-12-18;27-24-18-29-25(6-2-3-19-9-11-23(31)12-10-19)30-26(24)22-5-1-4-21(17-22)8-7-20-13-15-28-16-14-20;1-2-31(13-5-12-28)17-19-7-3-8-20(14-19)25-22(27)16-29-24(30-25)9-4-6-18-10-11-23(32)21(26)15-18;1-2-31(14-6-13-28)18-20-9-3-10-21(15-20)25-23(27)17-29-24(30-25)12-5-8-19-7-4-11-22(26)16-19;1-2-31(13-5-12-28)17-19-7-3-8-20(14-19)25-22(27)16-29-24(30-25)9-4-6-18-10-11-23(32)21(26)15-18;1-2-31(14-6-13-28)18-20-9-3-10-21(15-20)25-23(27)17-29-24(30-25)12-5-8-19-7-4-11-22(26)16-19;1-2-30(15-5-14-27)18-20-7-3-8-21(16-20)25-23(26)17-28-24(29-25)9-4-6-19-10-12-22(31)13-11-19;25-21-15-17(7-8-23(21)30)3-1-6-24-27-14-11-22(29-24)18-4-2-5-20(16-18)28-19-9-12-26-13-10-19;29-22-9-7-18(8-10-22)3-1-6-24-26-16-13-23(28-24)19-4-2-5-21(17-19)27-20-11-14-25-15-12-20/h3,6-7,11,14-18,25,30H,2,4-5,8-10,12-13,19H2,1H3;2,5-6,8-9,14-16,21,29,33H,3-4,7,10-13,17H2,1H3;1,3,5,9-10,15-18,29,32H,2,4,6-8,11-14H2;1,4-5,9-12,17-18,20,28,31H,2-3,6-8,13-16H2;3,7-8,10-11,14-16,32H,2,4-6,9,12-13,17,28H2,1H3;3-4,7,9-11,15-17H,2,5-6,8,12-14,18,28H2,1H3;3,7-8,10-11,14-16,32H,2,4-6,9,12-13,17,28H2,1H3;3-4,7,9-11,15-17H,2,5-6,8,12-14,18,28H2,1H3;3,7-8,10-13,16-17,31H,2,4-6,9,14-15,18,27H2,1H3;2,4-5,7-8,11,14-16,19,26,28,30H,1,3,6,9-10,12-13H2;2,4-5,7-10,13,16-17,20,25,27,29H,1,3,6,11-12,14-15H2.
What are the key properties of 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 4854.27 g/mol, XLogP of 53.22, 103 rotatable bonds, 21 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-chlorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N'-[[3-[2-[3-(3-chlorophenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N'-ethylpropane-1,3-diamine;2-chloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;N'-ethyl-N'-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]propane-1,3-diamine;4-[3-[5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158132071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).