2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C258H298Cl5F4N39O7 — CID 158448562

IUPAC2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCC1CN(C)CCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1Cl.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(N)c(Cl)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1.Cc1ncccc1C(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(C)C.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCN[C@H](c5ccccc5)C4)c3)n2)cc1
InChIInChI=1S/C30H31ClN4O2.C30H32N4O.2C27H32F2N4.C26H31ClN4O.C25H30ClN5.C25H29ClN2O.C25H30N2O.C23H25ClN2O.C20H26N8/c1-20(2)35(30(37)25-10-6-15-32-21(25)3)19-23-8-4-9-24(17-23)27-14-16-33-29(34-27)11-5-7-22-12-13-28(36)26(31)18-22;35-27-14-12-23(13-15-27)6-5-11-30-32-17-16-28(33-30)26-10-4-7-24(20-26)21-34-19-18-31-29(22-34)25-8-2-1-3-9-25;1-3-25-19-32(2)12-13-33(25)18-21-7-4-8-22(14-21)26-10-11-30-27(31-26)9-5-6-20-15-23(28)17-24(29)16-20;1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-19-17-28-13-14-31(19)18-21-6-3-7-22(15-21)24-11-12-29-26(30-24)8-4-5-20-9-10-25(32-2)23(27)16-20;1-18-16-28-12-13-31(18)17-20-5-2-6-21(14-20)24-10-11-29-25(30-24)7-3-4-19-8-9-23(27)22(26)15-19;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18;1-15-13-21-10-11-28(15)14-16-4-2-5-17(12-16)18-8-9-22-19(23-18)6-3-7-20-24-26-27-25-20/h4,6,8-10,12-18,20,36H,5,7,11,19H2,1-3H3;1-4,7-10,12-17,20,29,31,35H,5-6,11,18-19,21-22H2;4,7-8,10-11,14-17,25H,3,5-6,9,12-13,18-19H2,1-2H3;4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;3,6-7,9-12,15-16,19,28H,4-5,8,13-14,17-18H2,1-2H3;2,5-6,8-11,14-15,18,28H,3-4,7,12-13,16-17,27H2,1H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3;2,4-5,8-9,12,15,21H,3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27)/t;29-;;20-;19-;18-;;;;15-/m.0.000...0/s1
InChIKeyHDRQJOKHHMFXRR-QVQUYSBVSA-N
MW4310.74 g/mol
LogP51.13
Rot. Bonds76

About 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158448562) has the molecular formula C258H298Cl5F4N39O7 and a molecular weight of 4310.74 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID158448562
Molecular FormulaC258H298Cl5F4N39O7
Molecular Weight4310.74 g/mol
Exact Mass4305.25
IUPAC Name2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCC1CN(C)CCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1Cl.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(N)c(Cl)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1.Cc1ncccc1C(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(C)C.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCN[C@H](c5ccccc5)C4)c3)n2)cc1
InChIInChI=1S/C30H31ClN4O2.C30H32N4O.2C27H32F2N4.C26H31ClN4O.C25H30ClN5.C25H29ClN2O.C25H30N2O.C23H25ClN2O.C20H26N8/c1-20(2)35(30(37)25-10-6-15-32-21(25)3)19-23-8-4-9-24(17-23)27-14-16-33-29(34-27)11-5-7-22-12-13-28(36)26(31)18-22;35-27-14-12-23(13-15-27)6-5-11-30-32-17-16-28(33-30)26-10-4-7-24(20-26)21-34-19-18-31-29(22-34)25-8-2-1-3-9-25;1-3-25-19-32(2)12-13-33(25)18-21-7-4-8-22(14-21)26-10-11-30-27(31-26)9-5-6-20-15-23(28)17-24(29)16-20;1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-19-17-28-13-14-31(19)18-21-6-3-7-22(15-21)24-11-12-29-26(30-24)8-4-5-20-9-10-25(32-2)23(27)16-20;1-18-16-28-12-13-31(18)17-20-5-2-6-21(14-20)24-10-11-29-25(30-24)7-3-4-19-8-9-23(27)22(26)15-19;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18;1-15-13-21-10-11-28(15)14-16-4-2-5-17(12-16)18-8-9-22-19(23-18)6-3-7-20-24-26-27-25-20/h4,6,8-10,12-18,20,36H,5,7,11,19H2,1-3H3;1-4,7-10,12-17,20,29,31,35H,5-6,11,18-19,21-22H2;4,7-8,10-11,14-17,25H,3,5-6,9,12-13,18-19H2,1-2H3;4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;3,6-7,9-12,15-16,19,28H,4-5,8,13-14,17-18H2,1-2H3;2,5-6,8-11,14-15,18,28H,3-4,7,12-13,16-17,27H2,1H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3;2,4-5,8-9,12,15,21H,3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27)/t;29-;;20-;19-;18-;;;;15-/m.0.000...0/s1
InChIKeyHDRQJOKHHMFXRR-QVQUYSBVSA-N
XLogP51.13
TPSA555.90 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds76
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004310.74
LogP ≤ 551.13
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Analyze 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Related Compounds

CID 157798400
CID 157798400
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158834434
2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine
CID 158348231
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine
CID 158933937
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline
CID 159338948
CID 161412072
CID 161412072
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-4-carboxamide;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline
CID 161952711
N-[2-(4-amino-3-chlorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[2-(3-chloro-4-methoxyphenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 162111969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 158448562) is 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCC1CN(C)CCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1Cl.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(N)c(Cl)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1.Cc1ncccc1C(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(C)C.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCN[C@H](c5ccccc5)C4)c3)n2)cc1.
What is the InChIKey of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is HDRQJOKHHMFXRR-QVQUYSBVSA-N. The full InChI is InChI=1S/C30H31ClN4O2.C30H32N4O.2C27H32F2N4.C26H31ClN4O.C25H30ClN5.C25H29ClN2O.C25H30N2O.C23H25ClN2O.C20H26N8/c1-20(2)35(30(37)25-10-6-15-32-21(25)3)19-23-8-4-9-24(17-23)27-14-16-33-29(34-27)11-5-7-22-12-13-28(36)26(31)18-22;35-27-14-12-23(13-15-27)6-5-11-30-32-17-16-28(33-30)26-10-4-7-24(20-26)21-34-19-18-31-29(22-34)25-8-2-1-3-9-25;1-3-25-19-32(2)12-13-33(25)18-21-7-4-8-22(14-21)26-10-11-30-27(31-26)9-5-6-20-15-23(28)17-24(29)16-20;1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-19-17-28-13-14-31(19)18-21-6-3-7-22(15-21)24-11-12-29-26(30-24)8-4-5-20-9-10-25(32-2)23(27)16-20;1-18-16-28-12-13-31(18)17-20-5-2-6-21(14-20)24-10-11-29-25(30-24)7-3-4-19-8-9-23(27)22(26)15-19;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18;1-15-13-21-10-11-28(15)14-16-4-2-5-17(12-16)18-8-9-22-19(23-18)6-3-7-20-24-26-27-25-20/h4,6,8-10,12-18,20,36H,5,7,11,19H2,1-3H3;1-4,7-10,12-17,20,29,31,35H,5-6,11,18-19,21-22H2;4,7-8,10-11,14-17,25H,3,5-6,9,12-13,18-19H2,1-2H3;4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;3,6-7,9-12,15-16,19,28H,4-5,8,13-14,17-18H2,1-2H3;2,5-6,8-11,14-15,18,28H,3-4,7,12-13,16-17,27H2,1H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3;2,4-5,8-9,12,15,21H,3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27)/t;29-;;20-;19-;18-;;;;15-/m.0.000...0/s1.
What are the key properties of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 4310.74 g/mol, XLogP of 51.13, 76 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158448562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).