4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol

C266H323F6N37O11S — CID 158482338

IUPAC4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCN(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1ccc(F)c(-c2ccnc(CCCc3cccc(O)c3)n2)c1)C[C@H]1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)[C@H](C)CN1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4cccc(O)c4)n3)c2)[C@H](C)CN1.C[C@@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@@H]1CN[C@@H](C)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.Cc1ccc(CN2C[C@H](C)NC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1
InChIInChI=1S/C29H37N3O.C28H35FN4O.C27H34N4O.C27H33N3O3S.C27H33N3O.C26H29F3N4.2C26H31FN4O.C26H32N4O.C24H28N4O/c1-2-32(20-18-23-7-3-4-8-23)22-25-10-5-11-26(21-25)28-17-19-30-29(31-28)12-6-9-24-13-15-27(33)16-14-24;1-2-33(20-23-8-5-14-30-18-23)19-22-11-12-26(29)25(17-22)27-13-15-31-28(32-27)10-4-7-21-6-3-9-24(34)16-21;1-19-7-8-23(18-31-17-20(2)29-16-21(31)3)15-25(19)26-13-14-28-27(30-26)6-4-5-22-9-11-24(32)12-10-22;1-34(32,33)30(19-22-6-2-3-7-22)20-23-9-4-10-24(18-23)26-16-17-28-27(29-26)11-5-8-21-12-14-25(31)15-13-21;1-20-19-28-16-14-23(20)11-8-22-5-2-6-24(18-22)26-15-17-29-27(30-26)7-3-4-21-9-12-25(31)13-10-21;1-17-15-33(18(2)14-31-17)16-20-6-7-24(29)23(12-20)25-8-9-30-26(32-25)5-3-4-19-10-21(27)13-22(28)11-19;1-18-16-31(19(2)15-29-18)17-21-9-10-24(27)23(14-21)25-11-12-28-26(30-25)8-4-6-20-5-3-7-22(32)13-20;1-18-16-31(19(2)15-29-18)17-21-8-11-24(27)23(14-21)25-12-13-28-26(30-25)5-3-4-20-6-9-22(32)10-7-20;1-19-17-30(20(2)16-28-19)18-22-6-3-7-23(15-22)25-13-14-27-26(29-25)8-4-5-21-9-11-24(31)12-10-21;29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h5,10-11,13-17,19,21,23,33H,2-4,6-9,12,18,20,22H2,1H3;3,6,9,11-13,15-17,23,30,34H,2,4-5,7-8,10,14,18-20H2,1H3;7-15,20-21,29,32H,4-6,16-18H2,1-3H3;4,9-10,12-18,22,31H,2-3,5-8,11,19-20H2,1H3;2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;6-13,17-18,31H,3-5,14-16H2,1-2H3;3,5,7,9-14,18-19,29,32H,4,6,8,15-17H2,1-2H3;6-14,18-19,29,32H,3-5,15-17H2,1-2H3;3,6-7,9-15,19-20,28,31H,4-5,8,16-18H2,1-2H3;1,4-5,7-12,17,25,29H,2-3,6,13-16,18H2/t;23-;20-,21-;;20-,23-;17-,18-;2*18-,19-;19-,20+;/m.00.10110./s1
InChIKeyHHRAJDCFEAZFDD-WSQDRYNGSA-N
MW4360.81 g/mol
LogP47.35
Rot. Bonds81

About 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol

4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158482338) has the molecular formula C266H323F6N37O11S and a molecular weight of 4360.81 g/mol. Its IUPAC name is 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID158482338
Molecular FormulaC266H323F6N37O11S
Molecular Weight4360.81 g/mol
Exact Mass4357.55
IUPAC Name4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCN(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1ccc(F)c(-c2ccnc(CCCc3cccc(O)c3)n2)c1)C[C@H]1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)[C@H](C)CN1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4cccc(O)c4)n3)c2)[C@H](C)CN1.C[C@@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@@H]1CN[C@@H](C)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.Cc1ccc(CN2C[C@H](C)NC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1
InChIInChI=1S/C29H37N3O.C28H35FN4O.C27H34N4O.C27H33N3O3S.C27H33N3O.C26H29F3N4.2C26H31FN4O.C26H32N4O.C24H28N4O/c1-2-32(20-18-23-7-3-4-8-23)22-25-10-5-11-26(21-25)28-17-19-30-29(31-28)12-6-9-24-13-15-27(33)16-14-24;1-2-33(20-23-8-5-14-30-18-23)19-22-11-12-26(29)25(17-22)27-13-15-31-28(32-27)10-4-7-21-6-3-9-24(34)16-21;1-19-7-8-23(18-31-17-20(2)29-16-21(31)3)15-25(19)26-13-14-28-27(30-26)6-4-5-22-9-11-24(32)12-10-22;1-34(32,33)30(19-22-6-2-3-7-22)20-23-9-4-10-24(18-23)26-16-17-28-27(29-26)11-5-8-21-12-14-25(31)15-13-21;1-20-19-28-16-14-23(20)11-8-22-5-2-6-24(18-22)26-15-17-29-27(30-26)7-3-4-21-9-12-25(31)13-10-21;1-17-15-33(18(2)14-31-17)16-20-6-7-24(29)23(12-20)25-8-9-30-26(32-25)5-3-4-19-10-21(27)13-22(28)11-19;1-18-16-31(19(2)15-29-18)17-21-9-10-24(27)23(14-21)25-11-12-28-26(30-25)8-4-6-20-5-3-7-22(32)13-20;1-18-16-31(19(2)15-29-18)17-21-8-11-24(27)23(14-21)25-12-13-28-26(30-25)5-3-4-20-6-9-22(32)10-7-20;1-19-17-30(20(2)16-28-19)18-22-6-3-7-23(15-22)25-13-14-27-26(29-25)8-4-5-21-9-11-24(31)12-10-21;29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h5,10-11,13-17,19,21,23,33H,2-4,6-9,12,18,20,22H2,1H3;3,6,9,11-13,15-17,23,30,34H,2,4-5,7-8,10,14,18-20H2,1H3;7-15,20-21,29,32H,4-6,16-18H2,1-3H3;4,9-10,12-18,22,31H,2-3,5-8,11,19-20H2,1H3;2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;6-13,17-18,31H,3-5,14-16H2,1-2H3;3,5,7,9-14,18-19,29,32H,4,6,8,15-17H2,1-2H3;6-14,18-19,29,32H,3-5,15-17H2,1-2H3;3,6-7,9-15,19-20,28,31H,4-5,8,16-18H2,1-2H3;1,4-5,7-12,17,25,29H,2-3,6,13-16,18H2/t;23-;20-,21-;;20-,23-;17-,18-;2*18-,19-;19-,20+;/m.00.10110./s1
InChIKeyHHRAJDCFEAZFDD-WSQDRYNGSA-N
XLogP47.35
TPSA599.41 Ų
H-Bond Donors17
H-Bond Acceptors47
Rotatable Bonds81
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004360.81
LogP ≤ 547.35
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1047

Analyze 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)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-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol (CID 158482338) is 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol is CCN(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1ccc(F)c(-c2ccnc(CCCc3cccc(O)c3)n2)c1)C[C@H]1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)[C@H](C)CN1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4cccc(O)c4)n3)c2)[C@H](C)CN1.C[C@@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@@H]1CN[C@@H](C)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.Cc1ccc(CN2C[C@H](C)NC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1.
What is the InChIKey of 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is HHRAJDCFEAZFDD-WSQDRYNGSA-N. The full InChI is InChI=1S/C29H37N3O.C28H35FN4O.C27H34N4O.C27H33N3O3S.C27H33N3O.C26H29F3N4.2C26H31FN4O.C26H32N4O.C24H28N4O/c1-2-32(20-18-23-7-3-4-8-23)22-25-10-5-11-26(21-25)28-17-19-30-29(31-28)12-6-9-24-13-15-27(33)16-14-24;1-2-33(20-23-8-5-14-30-18-23)19-22-11-12-26(29)25(17-22)27-13-15-31-28(32-27)10-4-7-21-6-3-9-24(34)16-21;1-19-7-8-23(18-31-17-20(2)29-16-21(31)3)15-25(19)26-13-14-28-27(30-26)6-4-5-22-9-11-24(32)12-10-22;1-34(32,33)30(19-22-6-2-3-7-22)20-23-9-4-10-24(18-23)26-16-17-28-27(29-26)11-5-8-21-12-14-25(31)15-13-21;1-20-19-28-16-14-23(20)11-8-22-5-2-6-24(18-22)26-15-17-29-27(30-26)7-3-4-21-9-12-25(31)13-10-21;1-17-15-33(18(2)14-31-17)16-20-6-7-24(29)23(12-20)25-8-9-30-26(32-25)5-3-4-19-10-21(27)13-22(28)11-19;1-18-16-31(19(2)15-29-18)17-21-9-10-24(27)23(14-21)25-11-12-28-26(30-25)8-4-6-20-5-3-7-22(32)13-20;1-18-16-31(19(2)15-29-18)17-21-8-11-24(27)23(14-21)25-12-13-28-26(30-25)5-3-4-20-6-9-22(32)10-7-20;1-19-17-30(20(2)16-28-19)18-22-6-3-7-23(15-22)25-13-14-27-26(29-25)8-4-5-21-9-11-24(31)12-10-21;29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h5,10-11,13-17,19,21,23,33H,2-4,6-9,12,18,20,22H2,1H3;3,6,9,11-13,15-17,23,30,34H,2,4-5,7-8,10,14,18-20H2,1H3;7-15,20-21,29,32H,4-6,16-18H2,1-3H3;4,9-10,12-18,22,31H,2-3,5-8,11,19-20H2,1H3;2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;6-13,17-18,31H,3-5,14-16H2,1-2H3;3,5,7,9-14,18-19,29,32H,4,6,8,15-17H2,1-2H3;6-14,18-19,29,32H,3-5,15-17H2,1-2H3;3,6-7,9-15,19-20,28,31H,4-5,8,16-18H2,1-2H3;1,4-5,7-12,17,25,29H,2-3,6,13-16,18H2/t;23-;20-,21-;;20-,23-;17-,18-;2*18-,19-;19-,20+;/m.00.10110./s1.
What are the key properties of 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol?
4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 4360.81 g/mol, XLogP of 47.35, 81 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-[[2-cyclopentylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidine;3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158482338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).