tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine

C234H272Cl2F9N33O18S4 — CID 157234717

IUPACtert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(N(Cc2cccc(-c3nc(CCCc4ccc(O)c(F)c4)ncc3F)c2)S(C)(=O)=O)CC1.CC(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@H]1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)c(F)c3)ncc2F)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)cc3)ncc2F)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1)C1CCNCC1.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
InChIInChI=1S/C31H38F2N4O5S.C28H33FN4O.C26H29ClN4O2.C26H30F2N4O3S.C26H30F2N4O2S.C26H31FN4O3S.C24H27ClN2O.C24H28FN5.C23H26N2O/c1-31(2,3)42-30(39)36-15-13-24(14-16-36)37(43(4,40)41)20-22-8-5-9-23(17-22)29-26(33)19-34-28(35-29)10-6-7-21-11-12-27(38)25(32)18-21;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;1-18-15-30(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;1-36(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;1-35(33,34)32(23-11-13-29-14-12-23)18-20-7-2-8-21(15-20)26-24(28)17-30-25(31-26)10-4-6-19-5-3-9-22(27)16-19;1-35(33,34)31(22-12-14-28-15-13-22)18-20-5-2-6-21(16-20)26-24(27)17-29-25(30-26)7-3-4-19-8-10-23(32)11-9-19;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;1-2-3-6-19-8-4-9-20(17-19)22-15-16-24-23(25-22)10-5-7-18-11-13-21(26)14-12-18/h5,8-9,11-12,17-19,24,38H,6-7,10,13-16,20H2,1-4H3;3-4,7,9-10,12,14,16-18,24,30H,2,5-6,8,11,13,15,19-20H2,1H3;3,6-7,9-14,18,32H,4-5,8,15-17H2,1-2H3;2,5-6,8-9,14-16,21,29,33H,3-4,7,10-13,17H2,1H3;2-3,5,7-9,15-17,23,29H,4,6,10-14,18H2,1H3;2,5-6,8-11,16-17,22,28,32H,3-4,7,12-15,18H2,1H3;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);4,8-9,11-17,26H,2-3,5-7,10H2,1H3/t;24-;18-;;;;;18-;/m.00....0./s1
InChIKeyAUMQPKPYNLLIOW-GLGFQIFCSA-N
MW4205.12 g/mol
LogP41.58
Rot. Bonds75

About tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine

tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine (PubChem CID 157234717) has the molecular formula C234H272Cl2F9N33O18S4 and a molecular weight of 4205.12 g/mol. Its IUPAC name is tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Nametert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
PubChem CID157234717
Molecular FormulaC234H272Cl2F9N33O18S4
Molecular Weight4205.12 g/mol
Exact Mass4200.95
IUPAC Nametert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(N(Cc2cccc(-c3nc(CCCc4ccc(O)c(F)c4)ncc3F)c2)S(C)(=O)=O)CC1.CC(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@H]1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)c(F)c3)ncc2F)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)cc3)ncc2F)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1)C1CCNCC1.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
InChIInChI=1S/C31H38F2N4O5S.C28H33FN4O.C26H29ClN4O2.C26H30F2N4O3S.C26H30F2N4O2S.C26H31FN4O3S.C24H27ClN2O.C24H28FN5.C23H26N2O/c1-31(2,3)42-30(39)36-15-13-24(14-16-36)37(43(4,40)41)20-22-8-5-9-23(17-22)29-26(33)19-34-28(35-29)10-6-7-21-11-12-27(38)25(32)18-21;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;1-18-15-30(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;1-36(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;1-35(33,34)32(23-11-13-29-14-12-23)18-20-7-2-8-21(15-20)26-24(28)17-30-25(31-26)10-4-6-19-5-3-9-22(27)16-19;1-35(33,34)31(22-12-14-28-15-13-22)18-20-5-2-6-21(16-20)26-24(27)17-29-25(30-26)7-3-4-19-8-10-23(32)11-9-19;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;1-2-3-6-19-8-4-9-20(17-19)22-15-16-24-23(25-22)10-5-7-18-11-13-21(26)14-12-18/h5,8-9,11-12,17-19,24,38H,6-7,10,13-16,20H2,1-4H3;3-4,7,9-10,12,14,16-18,24,30H,2,5-6,8,11,13,15,19-20H2,1H3;3,6-7,9-14,18,32H,4-5,8,15-17H2,1-2H3;2,5-6,8-9,14-16,21,29,33H,3-4,7,10-13,17H2,1H3;2-3,5,7-9,15-17,23,29H,4,6,10-14,18H2,1H3;2,5-6,8-11,16-17,22,28,32H,3-4,7,12-15,18H2,1H3;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);4,8-9,11-17,26H,2-3,5-7,10H2,1H3/t;24-;18-;;;;;18-;/m.00....0./s1
InChIKeyAUMQPKPYNLLIOW-GLGFQIFCSA-N
XLogP41.58
TPSA651.74 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds75
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004205.12
LogP ≤ 541.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 162260226
4-[2-[[4-[3-[[2-(aminomethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 160592225
N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58199789
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
3-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(3R)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 159532037
N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide
CID 58603430
N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide
CID 58603587
N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 158328383
N-[[3-[2-[2-(4-hydroxy-3-methylphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 143078380
2-chloro-4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199550
2-chloro-4-[2-[[4-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603584

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine?
The IUPAC name of tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine (CID 157234717) is tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine is CC(C)(C)OC(=O)N1CCC(N(Cc2cccc(-c3nc(CCCc4ccc(O)c(F)c4)ncc3F)c2)S(C)(=O)=O)CC1.CC(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CCCCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C(=O)[C@H]1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)c(F)c3)ncc2F)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3ccc(O)cc3)ncc2F)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1)C1CCNCC1.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.
What is the InChIKey of tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine?
The InChIKey is AUMQPKPYNLLIOW-GLGFQIFCSA-N. The full InChI is InChI=1S/C31H38F2N4O5S.C28H33FN4O.C26H29ClN4O2.C26H30F2N4O3S.C26H30F2N4O2S.C26H31FN4O3S.C24H27ClN2O.C24H28FN5.C23H26N2O/c1-31(2,3)42-30(39)36-15-13-24(14-16-36)37(43(4,40)41)20-22-8-5-9-23(17-22)29-26(33)19-34-28(35-29)10-6-7-21-11-12-27(38)25(32)18-21;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;1-18-15-30(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;1-36(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;1-35(33,34)32(23-11-13-29-14-12-23)18-20-7-2-8-21(15-20)26-24(28)17-30-25(31-26)10-4-6-19-5-3-9-22(27)16-19;1-35(33,34)31(22-12-14-28-15-13-22)18-20-5-2-6-21(16-20)26-24(27)17-29-25(30-26)7-3-4-19-8-10-23(32)11-9-19;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;1-2-3-6-19-8-4-9-20(17-19)22-15-16-24-23(25-22)10-5-7-18-11-13-21(26)14-12-18/h5,8-9,11-12,17-19,24,38H,6-7,10,13-16,20H2,1-4H3;3-4,7,9-10,12,14,16-18,24,30H,2,5-6,8,11,13,15,19-20H2,1H3;3,6-7,9-14,18,32H,4-5,8,15-17H2,1-2H3;2,5-6,8-9,14-16,21,29,33H,3-4,7,10-13,17H2,1H3;2-3,5,7-9,15-17,23,29H,4,6,10-14,18H2,1H3;2,5-6,8-11,16-17,22,28,32H,3-4,7,12-15,18H2,1H3;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);4,8-9,11-17,26H,2-3,5-7,10H2,1H3/t;24-;18-;;;;;18-;/m.00....0./s1.
What are the key properties of tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine?
tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine has a molecular weight of 4205.12 g/mol, XLogP of 41.58, 75 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;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;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157234717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).