5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol

C383H446Cl2F3N51O18 — CID 158906623

IUPAC5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCNC1.CC(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)NCc1ccc(-c2ccnc(CCCc3ccc(O)cc3)n2)cc1.CC(O)c1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CC)CCCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CC)CCCN(CC)Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CCCN)Cc1cccc(-c2ccnc(CCCc3ccc(OC)c(O)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@H]1CCCNC1.C[C@H]1CN(C)CC(=O)N1Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.Oc1ccc(CCCc2nccc(-c3cccc(CCc4cccnc4)c3)n2)cc1.Oc1ccc(CCCc2nccc(-c3cccc(CCc4cnccn4)c3)n2)cc1.c1ccc(CCc2cccc(-c3ccnc(CCCN4CCOCC4)n3)c2)cc1
InChIInChI=1S/C29H40N4O.2C28H33FN4O.C28H37N3O.C27H32N4O2.C26H29ClN4O2.C26H34N4O2.C26H25N3O.C25H24N4O.C25H29N3O.C24H27ClN2O.C24H28FN5.C23H27N3O.C23H26N2O.C21H22N2O2/c1-4-32(5-2)20-9-21-33(6-3)23-25-11-7-12-26(22-25)28-18-19-30-29(31-28)13-8-10-24-14-16-27(34)17-15-24;2*1-2-33(28(34)24-11-6-15-30-19-24)20-22-9-3-10-23(17-22)26-14-16-31-27(32-26)13-5-8-21-7-4-12-25(29)18-21;1-3-31(4-2)21-7-5-6-10-24-12-8-13-25(22-24)27-19-20-29-28(30-27)14-9-11-23-15-17-26(32)18-16-23;1-20(32)31(19-23-12-14-28-17-23)18-22-5-2-6-24(16-22)26-13-15-29-27(30-26)7-3-4-21-8-10-25(33)11-9-21;1-18-15-30(2)17-26(33)31(18)16-20-6-3-7-21(13-20)23-11-12-28-25(29-23)8-4-5-19-9-10-24(32)22(27)14-19;1-3-30(16-6-14-27)19-21-8-4-9-22(17-21)23-13-15-28-26(29-23)10-5-7-20-11-12-25(32-2)24(31)18-20;30-24-13-11-20(12-14-24)4-2-8-26-28-17-15-25(29-26)23-7-1-5-21(18-23)9-10-22-6-3-16-27-19-22;30-23-11-8-19(9-12-23)3-2-6-25-28-14-13-24(29-25)21-5-1-4-20(17-21)7-10-22-18-26-15-16-27-22;1-2-6-21(7-3-1)11-12-22-8-4-9-23(20-22)24-13-14-26-25(27-24)10-5-15-28-16-18-29-19-17-28;1-17(2)9-10-18-5-3-7-20(15-18)22-13-14-26-24(27-22)8-4-6-19-11-12-23(28)21(25)16-19;1-18-16-26-12-13-30(18)17-20-5-2-6-21(14-20)23-9-11-28-24(29-23)27-10-8-19-4-3-7-22(25)15-19;1-17(2)25-16-19-6-10-20(11-7-19)22-14-15-24-23(26-22)5-3-4-18-8-12-21(27)13-9-18;1-2-3-6-19-8-4-9-20(17-19)22-15-16-24-23(25-22)10-5-7-18-11-13-21(26)14-12-18;1-15(24)17-5-3-6-18(14-17)20-12-13-22-21(23-20)7-2-4-16-8-10-19(25)11-9-16/h7,11-12,14-19,22,34H,4-6,8-10,13,20-21,23H2,1-3H3;2*3-4,7,9-10,12,14,16-18,24,30H,2,5-6,8,11,13,15,19-20H2,1H3;8,12-13,15-20,22,32H,3-7,9-11,14,21H2,1-2H3;2,5-6,8-11,13,15-16,23,28,33H,3-4,7,12,14,17-19H2,1H3;3,6-7,9-14,18,32H,4-5,8,15-17H2,1-2H3;4,8-9,11-13,15,17-18,31H,3,5-7,10,14,16,19,27H2,1-2H3;1,3,5-7,11-19,30H,2,4,8-10H2;1,4-5,8-9,11-18,30H,2-3,6-7,10H2;1-4,6-9,13-14,20H,5,10-12,15-19H2;3,5,7,11-17,28H,4,6,8-10H2,1-2H3;2-7,9,11,14-15,18,26H,8,10,12-13,16-17H2,1H3,(H,27,28,29);6-15,17,25,27H,3-5,16H2,1-2H3;4,8-9,11-17,26H,2-3,5-7,10H2,1H3;3,5-6,8-15,24-25H,2,4,7H2,1H3/t;2*24-;;;18-;;;;;;18-;;;/m.10..0.....0.../s1
InChIKeyJGCXUADGCZKFEW-OBALLQLFSA-N
MW6180.02 g/mol
LogP71.76
Rot. Bonds134

About 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol

5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158906623) has the molecular formula C383H446Cl2F3N51O18 and a molecular weight of 6180.02 g/mol. Its IUPAC name is 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID158906623
Molecular FormulaC383H446Cl2F3N51O18
Molecular Weight6180.02 g/mol
Exact Mass6174.49
IUPAC Name5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCNC1.CC(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)NCc1ccc(-c2ccnc(CCCc3ccc(O)cc3)n2)cc1.CC(O)c1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CC)CCCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CC)CCCN(CC)Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CCCN)Cc1cccc(-c2ccnc(CCCc3ccc(OC)c(O)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@H]1CCCNC1.C[C@H]1CN(C)CC(=O)N1Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.Oc1ccc(CCCc2nccc(-c3cccc(CCc4cccnc4)c3)n2)cc1.Oc1ccc(CCCc2nccc(-c3cccc(CCc4cnccn4)c3)n2)cc1.c1ccc(CCc2cccc(-c3ccnc(CCCN4CCOCC4)n3)c2)cc1
InChIInChI=1S/C29H40N4O.2C28H33FN4O.C28H37N3O.C27H32N4O2.C26H29ClN4O2.C26H34N4O2.C26H25N3O.C25H24N4O.C25H29N3O.C24H27ClN2O.C24H28FN5.C23H27N3O.C23H26N2O.C21H22N2O2/c1-4-32(5-2)20-9-21-33(6-3)23-25-11-7-12-26(22-25)28-18-19-30-29(31-28)13-8-10-24-14-16-27(34)17-15-24;2*1-2-33(28(34)24-11-6-15-30-19-24)20-22-9-3-10-23(17-22)26-14-16-31-27(32-26)13-5-8-21-7-4-12-25(29)18-21;1-3-31(4-2)21-7-5-6-10-24-12-8-13-25(22-24)27-19-20-29-28(30-27)14-9-11-23-15-17-26(32)18-16-23;1-20(32)31(19-23-12-14-28-17-23)18-22-5-2-6-24(16-22)26-13-15-29-27(30-26)7-3-4-21-8-10-25(33)11-9-21;1-18-15-30(2)17-26(33)31(18)16-20-6-3-7-21(13-20)23-11-12-28-25(29-23)8-4-5-19-9-10-24(32)22(27)14-19;1-3-30(16-6-14-27)19-21-8-4-9-22(17-21)23-13-15-28-26(29-23)10-5-7-20-11-12-25(32-2)24(31)18-20;30-24-13-11-20(12-14-24)4-2-8-26-28-17-15-25(29-26)23-7-1-5-21(18-23)9-10-22-6-3-16-27-19-22;30-23-11-8-19(9-12-23)3-2-6-25-28-14-13-24(29-25)21-5-1-4-20(17-21)7-10-22-18-26-15-16-27-22;1-2-6-21(7-3-1)11-12-22-8-4-9-23(20-22)24-13-14-26-25(27-24)10-5-15-28-16-18-29-19-17-28;1-17(2)9-10-18-5-3-7-20(15-18)22-13-14-26-24(27-22)8-4-6-19-11-12-23(28)21(25)16-19;1-18-16-26-12-13-30(18)17-20-5-2-6-21(14-20)23-9-11-28-24(29-23)27-10-8-19-4-3-7-22(25)15-19;1-17(2)25-16-19-6-10-20(11-7-19)22-14-15-24-23(26-22)5-3-4-18-8-12-21(27)13-9-18;1-2-3-6-19-8-4-9-20(17-19)22-15-16-24-23(25-22)10-5-7-18-11-13-21(26)14-12-18;1-15(24)17-5-3-6-18(14-17)20-12-13-22-21(23-20)7-2-4-16-8-10-19(25)11-9-16/h7,11-12,14-19,22,34H,4-6,8-10,13,20-21,23H2,1-3H3;2*3-4,7,9-10,12,14,16-18,24,30H,2,5-6,8,11,13,15,19-20H2,1H3;8,12-13,15-20,22,32H,3-7,9-11,14,21H2,1-2H3;2,5-6,8-11,13,15-16,23,28,33H,3-4,7,12,14,17-19H2,1H3;3,6-7,9-14,18,32H,4-5,8,15-17H2,1-2H3;4,8-9,11-13,15,17-18,31H,3,5-7,10,14,16,19,27H2,1-2H3;1,3,5-7,11-19,30H,2,4,8-10H2;1,4-5,8-9,11-18,30H,2-3,6-7,10H2;1-4,6-9,13-14,20H,5,10-12,15-19H2;3,5,7,11-17,28H,4,6,8-10H2,1-2H3;2-7,9,11,14-15,18,26H,8,10,12-13,16-17H2,1H3,(H,27,28,29);6-15,17,25,27H,3-5,16H2,1-2H3;4,8-9,11-17,26H,2-3,5-7,10H2,1H3;3,5-6,8-15,24-25H,2,4,7H2,1H3/t;2*24-;;;18-;;;;;;18-;;;/m.10..0.....0.../s1
InChIKeyJGCXUADGCZKFEW-OBALLQLFSA-N
XLogP71.76
TPSA888.71 Ų
H-Bond Donors19
H-Bond Acceptors65
Rotatable Bonds134
Heavy Atoms457
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006180.02
LogP ≤ 571.76
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1065

Analyze 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol (CID 158906623) is 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol is CC(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCNC1.CC(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)NCc1ccc(-c2ccnc(CCCc3ccc(O)cc3)n2)cc1.CC(O)c1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CC)CCCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CC)CCCN(CC)Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(CCCN)Cc1cccc(-c2ccnc(CCCc3ccc(OC)c(O)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@H]1CCCNC1.C[C@H]1CN(C)CC(=O)N1Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.Oc1ccc(CCCc2nccc(-c3cccc(CCc4cccnc4)c3)n2)cc1.Oc1ccc(CCCc2nccc(-c3cccc(CCc4cnccn4)c3)n2)cc1.c1ccc(CCc2cccc(-c3ccnc(CCCN4CCOCC4)n3)c2)cc1.
What is the InChIKey of 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is JGCXUADGCZKFEW-OBALLQLFSA-N. The full InChI is InChI=1S/C29H40N4O.2C28H33FN4O.C28H37N3O.C27H32N4O2.C26H29ClN4O2.C26H34N4O2.C26H25N3O.C25H24N4O.C25H29N3O.C24H27ClN2O.C24H28FN5.C23H27N3O.C23H26N2O.C21H22N2O2/c1-4-32(5-2)20-9-21-33(6-3)23-25-11-7-12-26(22-25)28-18-19-30-29(31-28)13-8-10-24-14-16-27(34)17-15-24;2*1-2-33(28(34)24-11-6-15-30-19-24)20-22-9-3-10-23(17-22)26-14-16-31-27(32-26)13-5-8-21-7-4-12-25(29)18-21;1-3-31(4-2)21-7-5-6-10-24-12-8-13-25(22-24)27-19-20-29-28(30-27)14-9-11-23-15-17-26(32)18-16-23;1-20(32)31(19-23-12-14-28-17-23)18-22-5-2-6-24(16-22)26-13-15-29-27(30-26)7-3-4-21-8-10-25(33)11-9-21;1-18-15-30(2)17-26(33)31(18)16-20-6-3-7-21(13-20)23-11-12-28-25(29-23)8-4-5-19-9-10-24(32)22(27)14-19;1-3-30(16-6-14-27)19-21-8-4-9-22(17-21)23-13-15-28-26(29-23)10-5-7-20-11-12-25(32-2)24(31)18-20;30-24-13-11-20(12-14-24)4-2-8-26-28-17-15-25(29-26)23-7-1-5-21(18-23)9-10-22-6-3-16-27-19-22;30-23-11-8-19(9-12-23)3-2-6-25-28-14-13-24(29-25)21-5-1-4-20(17-21)7-10-22-18-26-15-16-27-22;1-2-6-21(7-3-1)11-12-22-8-4-9-23(20-22)24-13-14-26-25(27-24)10-5-15-28-16-18-29-19-17-28;1-17(2)9-10-18-5-3-7-20(15-18)22-13-14-26-24(27-22)8-4-6-19-11-12-23(28)21(25)16-19;1-18-16-26-12-13-30(18)17-20-5-2-6-21(14-20)23-9-11-28-24(29-23)27-10-8-19-4-3-7-22(25)15-19;1-17(2)25-16-19-6-10-20(11-7-19)22-14-15-24-23(26-22)5-3-4-18-8-12-21(27)13-9-18;1-2-3-6-19-8-4-9-20(17-19)22-15-16-24-23(25-22)10-5-7-18-11-13-21(26)14-12-18;1-15(24)17-5-3-6-18(14-17)20-12-13-22-21(23-20)7-2-4-16-8-10-19(25)11-9-16/h7,11-12,14-19,22,34H,4-6,8-10,13,20-21,23H2,1-3H3;2*3-4,7,9-10,12,14,16-18,24,30H,2,5-6,8,11,13,15,19-20H2,1H3;8,12-13,15-20,22,32H,3-7,9-11,14,21H2,1-2H3;2,5-6,8-11,13,15-16,23,28,33H,3-4,7,12,14,17-19H2,1H3;3,6-7,9-14,18,32H,4-5,8,15-17H2,1-2H3;4,8-9,11-13,15,17-18,31H,3,5-7,10,14,16,19,27H2,1-2H3;1,3,5-7,11-19,30H,2,4,8-10H2;1,4-5,8-9,11-18,30H,2-3,6-7,10H2;1-4,6-9,13-14,20H,5,10-12,15-19H2;3,5,7,11-17,28H,4,6,8-10H2,1-2H3;2-7,9,11,14-15,18,26H,8,10,12-13,16-17H2,1H3,(H,27,28,29);6-15,17,25,27H,3-5,16H2,1-2H3;4,8-9,11-17,26H,2-3,5-7,10H2,1H3;3,5-6,8-15,24-25H,2,4,7H2,1H3/t;2*24-;;;18-;;;;;;18-;;;/m.10..0.....0.../s1.
What are the key properties of 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 6180.02 g/mol, XLogP of 71.76, 134 rotatable bonds, 19 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158906623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).