2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C266H314ClF14N39O8S — CID 159583902

IUPAC2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(Cc1ccc(F)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)CC1CCCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.CS(=O)(=O)C(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCNC1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.Cc1cc(-c2cccc(CN3CCNC[C@@H]3C)c2)nc(CCCc2ccc(O)c(Cl)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C28H33F3N4.C28H34F2N4.C28H34FN3.C27H31F2N3O2S.C27H32N4O3.C26H31ClN4O.2C26H30F2N4.C26H32N4O2.C24H27F2N5/c1-2-35(19-22-6-4-11-32-17-22)18-21-8-9-26(31)25(15-21)27-10-12-33-28(34-27)7-3-5-20-13-23(29)16-24(30)14-20;1-2-34(20-23-8-5-12-31-18-23)19-22-7-3-9-24(14-22)27-11-13-32-28(33-27)10-4-6-21-15-25(29)17-26(30)16-21;1-2-32(20-23-8-3-4-9-23)21-24-12-5-13-25(18-24)27-16-17-30-28(31-27)15-7-11-22-10-6-14-26(29)19-22;1-35(33,34)25(16-21-8-10-30-18-21)15-19-4-2-6-22(12-19)26-9-11-31-27(32-26)7-3-5-20-13-23(28)17-24(29)14-20;32-24-10-7-20(8-11-24)3-2-6-26-29-14-13-25(30-26)22-5-1-4-21(17-22)19-31-16-15-28-18-23(31)9-12-27(33)34;1-18-13-24(22-7-3-6-21(14-22)17-31-12-11-28-16-19(31)2)30-26(29-18)8-4-5-20-9-10-25(32)23(27)15-20;1-18-16-32(19(2)15-30-18)17-21-6-3-7-22(11-21)25-9-10-29-26(31-25)8-4-5-20-12-23(27)14-24(28)13-20;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20;1-17-13-27-7-8-31(17)16-19-9-20(15-28-14-19)23-5-6-29-24(30-23)4-2-3-18-10-21(25)12-22(26)11-18/h8-10,12-16,22,32H,2-7,11,17-19H2,1H3;3,7,9,11,13-17,23,31H,2,4-6,8,10,12,18-20H2,1H3;5-6,10,12-14,16-19,23H,2-4,7-9,11,15,20-21H2,1H3;2,4,6,9,11-14,17,21,25,30H,3,5,7-8,10,15-16,18H2,1H3;1,4-5,7-8,10-11,13-14,17,23,28,32H,2-3,6,9,12,15-16,18-19H2,(H,33,34);3,6-7,9-10,13-15,19,28,32H,4-5,8,11-12,16-17H2,1-2H3;3,6-7,9-14,18-19,30H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3;5-6,9-12,14-15,17,27H,2-4,7-8,13,16H2,1H3/t22-;23-;;21-,25?;;19-;18-,19-;;19-;17-/m00.1.00.00/s1
InChIKeyMJJDYOIZIFXLSH-HYUWLBPLSA-N
MW4519.19 g/mol
LogP47.61
Rot. Bonds86

About 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 159583902) has the molecular formula C266H314ClF14N39O8S and a molecular weight of 4519.19 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID159583902
Molecular FormulaC266H314ClF14N39O8S
Molecular Weight4519.19 g/mol
Exact Mass4515.45
IUPAC Name2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(Cc1ccc(F)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)CC1CCCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.CS(=O)(=O)C(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCNC1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.Cc1cc(-c2cccc(CN3CCNC[C@@H]3C)c2)nc(CCCc2ccc(O)c(Cl)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C28H33F3N4.C28H34F2N4.C28H34FN3.C27H31F2N3O2S.C27H32N4O3.C26H31ClN4O.2C26H30F2N4.C26H32N4O2.C24H27F2N5/c1-2-35(19-22-6-4-11-32-17-22)18-21-8-9-26(31)25(15-21)27-10-12-33-28(34-27)7-3-5-20-13-23(29)16-24(30)14-20;1-2-34(20-23-8-5-12-31-18-23)19-22-7-3-9-24(14-22)27-11-13-32-28(33-27)10-4-6-21-15-25(29)17-26(30)16-21;1-2-32(20-23-8-3-4-9-23)21-24-12-5-13-25(18-24)27-16-17-30-28(31-27)15-7-11-22-10-6-14-26(29)19-22;1-35(33,34)25(16-21-8-10-30-18-21)15-19-4-2-6-22(12-19)26-9-11-31-27(32-26)7-3-5-20-13-23(28)17-24(29)14-20;32-24-10-7-20(8-11-24)3-2-6-26-29-14-13-25(30-26)22-5-1-4-21(17-22)19-31-16-15-28-18-23(31)9-12-27(33)34;1-18-13-24(22-7-3-6-21(14-22)17-31-12-11-28-16-19(31)2)30-26(29-18)8-4-5-20-9-10-25(32)23(27)15-20;1-18-16-32(19(2)15-30-18)17-21-6-3-7-22(11-21)25-9-10-29-26(31-25)8-4-5-20-12-23(27)14-24(28)13-20;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20;1-17-13-27-7-8-31(17)16-19-9-20(15-28-14-19)23-5-6-29-24(30-23)4-2-3-18-10-21(25)12-22(26)11-18/h8-10,12-16,22,32H,2-7,11,17-19H2,1H3;3,7,9,11,13-17,23,31H,2,4-6,8,10,12,18-20H2,1H3;5-6,10,12-14,16-19,23H,2-4,7-9,11,15,20-21H2,1H3;2,4,6,9,11-14,17,21,25,30H,3,5,7-8,10,15-16,18H2,1H3;1,4-5,7-8,10-11,13-14,17,23,28,32H,2-3,6,9,12,15-16,18-19H2,(H,33,34);3,6-7,9-10,13-15,19,28,32H,4-5,8,11-12,16-17H2,1-2H3;3,6-7,9-14,18-19,30H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3;5-6,9-12,14-15,17,27H,2-4,7-8,13,16H2,1H3/t22-;23-;;21-,25?;;19-;18-,19-;;19-;17-/m00.1.00.00/s1
InChIKeyMJJDYOIZIFXLSH-HYUWLBPLSA-N
XLogP47.61
TPSA549.48 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds86
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004519.19
LogP ≤ 547.61
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Analyze 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 159583902) is 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(Cc1ccc(F)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)CC1CCCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.CS(=O)(=O)C(Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCNC1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.Cc1cc(-c2cccc(CN3CCNC[C@@H]3C)c2)nc(CCCc2ccc(O)c(Cl)c2)n1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.
What is the InChIKey of 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is MJJDYOIZIFXLSH-HYUWLBPLSA-N. The full InChI is InChI=1S/C28H33F3N4.C28H34F2N4.C28H34FN3.C27H31F2N3O2S.C27H32N4O3.C26H31ClN4O.2C26H30F2N4.C26H32N4O2.C24H27F2N5/c1-2-35(19-22-6-4-11-32-17-22)18-21-8-9-26(31)25(15-21)27-10-12-33-28(34-27)7-3-5-20-13-23(29)16-24(30)14-20;1-2-34(20-23-8-5-12-31-18-23)19-22-7-3-9-24(14-22)27-11-13-32-28(33-27)10-4-6-21-15-25(29)17-26(30)16-21;1-2-32(20-23-8-3-4-9-23)21-24-12-5-13-25(18-24)27-16-17-30-28(31-27)15-7-11-22-10-6-14-26(29)19-22;1-35(33,34)25(16-21-8-10-30-18-21)15-19-4-2-6-22(12-19)26-9-11-31-27(32-26)7-3-5-20-13-23(28)17-24(29)14-20;32-24-10-7-20(8-11-24)3-2-6-26-29-14-13-25(30-26)22-5-1-4-21(17-22)19-31-16-15-28-18-23(31)9-12-27(33)34;1-18-13-24(22-7-3-6-21(14-22)17-31-12-11-28-16-19(31)2)30-26(29-18)8-4-5-20-9-10-25(32)23(27)15-20;1-18-16-32(19(2)15-30-18)17-21-6-3-7-22(11-21)25-9-10-29-26(31-25)8-4-5-20-12-23(27)14-24(28)13-20;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20;1-17-13-27-7-8-31(17)16-19-9-20(15-28-14-19)23-5-6-29-24(30-23)4-2-3-18-10-21(25)12-22(26)11-18/h8-10,12-16,22,32H,2-7,11,17-19H2,1H3;3,7,9,11,13-17,23,31H,2,4-6,8,10,12,18-20H2,1H3;5-6,10,12-14,16-19,23H,2-4,7-9,11,15,20-21H2,1H3;2,4,6,9,11-14,17,21,25,30H,3,5,7-8,10,15-16,18H2,1H3;1,4-5,7-8,10-11,13-14,17,23,28,32H,2-3,6,9,12,15-16,18-19H2,(H,33,34);3,6-7,9-10,13-15,19,28,32H,4-5,8,11-12,16-17H2,1-2H3;3,6-7,9-14,18-19,30H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3;5-6,9-12,14-15,17,27H,2-4,7-8,13,16H2,1H3/t22-;23-;;21-,25?;;19-;18-,19-;;19-;17-/m00.1.00.00/s1.
What are the key properties of 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 4519.19 g/mol, XLogP of 47.61, 86 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-methyl-6-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-(cyclopentylmethyl)-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]-4-fluorophenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;3-[1-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 159583902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).