2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C300H365Cl3F4N60O12 — CID 158932740

IUPAC2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C1CCNCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4ccc(O)c(Cl)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4cccc(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCNc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/3C26H33N5O.C25H29ClFN5O.C25H30ClN5O.2C25H30FN5O.3C25H31N5O.C24H28FN5O.C23H26ClN5O/c1-2-31(23-10-13-27-14-11-23)19-21-6-3-7-22(17-21)25-12-16-29-26(30-25)28-15-9-20-5-4-8-24(32)18-20;1-2-31(23-11-14-27-15-12-23)19-21-4-3-5-22(18-21)25-13-17-29-26(30-25)28-16-10-20-6-8-24(32)9-7-20;1-2-31(19-22-10-13-27-17-22)18-21-4-3-5-23(16-21)25-12-15-29-26(30-25)28-14-11-20-6-8-24(32)9-7-20;1-16-14-32(17(2)13-30-16)15-19-3-5-22(27)20(11-19)23-8-10-29-25(31-23)28-9-7-18-4-6-24(33)21(26)12-18;1-2-31(21-9-11-27-16-21)17-19-4-3-5-20(14-19)23-10-13-29-25(30-23)28-12-8-18-6-7-24(32)22(26)15-18;1-17-15-31(18(2)14-29-17)16-20-5-8-23(26)22(13-20)24-10-12-28-25(30-24)27-11-9-19-3-6-21(32)7-4-19;1-17-15-31(18(2)14-29-17)16-20-6-7-23(26)22(13-20)24-9-11-28-25(30-24)27-10-8-19-4-3-5-21(32)12-19;1-18-16-30(19(2)15-28-18)17-21-4-3-5-22(14-21)24-11-13-27-25(29-24)26-12-10-20-6-8-23(31)9-7-20;1-2-30(22-10-12-26-17-22)18-20-6-3-7-21(15-20)24-11-14-28-25(29-24)27-13-9-19-5-4-8-23(31)16-19;1-2-30(22-11-13-26-17-22)18-20-4-3-5-21(16-20)24-12-15-28-25(29-24)27-14-10-19-6-8-23(31)9-7-19;1-17-15-26-12-13-30(17)16-19-4-7-22(25)21(14-19)23-9-11-28-24(29-23)27-10-8-18-2-5-20(31)6-3-18;24-20-15-17(4-5-22(20)30)6-8-26-23-27-9-7-21(28-23)19-3-1-2-18(14-19)16-29-12-10-25-11-13-29/h3-8,12,16-18,23,27,32H,2,9-11,13-15,19H2,1H3,(H,28,29,30);3-9,13,17-18,23,27,32H,2,10-12,14-16,19H2,1H3,(H,28,29,30);3-9,12,15-16,22,27,32H,2,10-11,13-14,17-19H2,1H3,(H,28,29,30);3-6,8,10-12,16-17,30,33H,7,9,13-15H2,1-2H3,(H,28,29,31);3-7,10,13-15,21,27,32H,2,8-9,11-12,16-17H2,1H3,(H,28,29,30);3-8,10,12-13,17-18,29,32H,9,11,14-16H2,1-2H3,(H,27,28,30);3-7,9,11-13,17-18,29,32H,8,10,14-16H2,1-2H3,(H,27,28,30);3-9,11,13-14,18-19,28,31H,10,12,15-17H2,1-2H3,(H,26,27,29);3-8,11,14-16,22,26,31H,2,9-10,12-13,17-18H2,1H3,(H,27,28,29);3-9,12,15-16,22,26,31H,2,10-11,13-14,17-18H2,1H3,(H,27,28,29);2-7,9,11,14,17,26,31H,8,10,12-13,15-16H2,1H3,(H,27,28,29);1-5,7,9,14-15,25,30H,6,8,10-13,16H2,(H,26,27,28)/t;;22-;16-,17+;;2*17-,18-;18-,19-;;;17-;/m..11.000..0./s1
InChIKeyJJGRCDPMNUPQBJ-RWLDLAETSA-N
MW5185.98 g/mol
LogP46.62
Rot. Bonds97

About 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 158932740) has the molecular formula C300H365Cl3F4N60O12 and a molecular weight of 5185.98 g/mol. Its IUPAC name is 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID158932740
Molecular FormulaC300H365Cl3F4N60O12
Molecular Weight5185.98 g/mol
Exact Mass5180.88
IUPAC Name2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C1CCNCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4ccc(O)c(Cl)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4cccc(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCNc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/3C26H33N5O.C25H29ClFN5O.C25H30ClN5O.2C25H30FN5O.3C25H31N5O.C24H28FN5O.C23H26ClN5O/c1-2-31(23-10-13-27-14-11-23)19-21-6-3-7-22(17-21)25-12-16-29-26(30-25)28-15-9-20-5-4-8-24(32)18-20;1-2-31(23-11-14-27-15-12-23)19-21-4-3-5-22(18-21)25-13-17-29-26(30-25)28-16-10-20-6-8-24(32)9-7-20;1-2-31(19-22-10-13-27-17-22)18-21-4-3-5-23(16-21)25-12-15-29-26(30-25)28-14-11-20-6-8-24(32)9-7-20;1-16-14-32(17(2)13-30-16)15-19-3-5-22(27)20(11-19)23-8-10-29-25(31-23)28-9-7-18-4-6-24(33)21(26)12-18;1-2-31(21-9-11-27-16-21)17-19-4-3-5-20(14-19)23-10-13-29-25(30-23)28-12-8-18-6-7-24(32)22(26)15-18;1-17-15-31(18(2)14-29-17)16-20-5-8-23(26)22(13-20)24-10-12-28-25(30-24)27-11-9-19-3-6-21(32)7-4-19;1-17-15-31(18(2)14-29-17)16-20-6-7-23(26)22(13-20)24-9-11-28-25(30-24)27-10-8-19-4-3-5-21(32)12-19;1-18-16-30(19(2)15-28-18)17-21-4-3-5-22(14-21)24-11-13-27-25(29-24)26-12-10-20-6-8-23(31)9-7-20;1-2-30(22-10-12-26-17-22)18-20-6-3-7-21(15-20)24-11-14-28-25(29-24)27-13-9-19-5-4-8-23(31)16-19;1-2-30(22-11-13-26-17-22)18-20-4-3-5-21(16-20)24-12-15-28-25(29-24)27-14-10-19-6-8-23(31)9-7-19;1-17-15-26-12-13-30(17)16-19-4-7-22(25)21(14-19)23-9-11-28-24(29-23)27-10-8-18-2-5-20(31)6-3-18;24-20-15-17(4-5-22(20)30)6-8-26-23-27-9-7-21(28-23)19-3-1-2-18(14-19)16-29-12-10-25-11-13-29/h3-8,12,16-18,23,27,32H,2,9-11,13-15,19H2,1H3,(H,28,29,30);3-9,13,17-18,23,27,32H,2,10-12,14-16,19H2,1H3,(H,28,29,30);3-9,12,15-16,22,27,32H,2,10-11,13-14,17-19H2,1H3,(H,28,29,30);3-6,8,10-12,16-17,30,33H,7,9,13-15H2,1-2H3,(H,28,29,31);3-7,10,13-15,21,27,32H,2,8-9,11-12,16-17H2,1H3,(H,28,29,30);3-8,10,12-13,17-18,29,32H,9,11,14-16H2,1-2H3,(H,27,28,30);3-7,9,11-13,17-18,29,32H,8,10,14-16H2,1-2H3,(H,27,28,30);3-9,11,13-14,18-19,28,31H,10,12,15-17H2,1-2H3,(H,26,27,29);3-8,11,14-16,22,26,31H,2,9-10,12-13,17-18H2,1H3,(H,27,28,29);3-9,12,15-16,22,26,31H,2,10-11,13-14,17-18H2,1H3,(H,27,28,29);2-7,9,11,14,17,26,31H,8,10,12-13,15-16H2,1H3,(H,27,28,29);1-5,7,9,14-15,25,30H,6,8,10-13,16H2,(H,26,27,28)/t;;22-;16-,17+;;2*17-,18-;18-,19-;;;17-;/m..11.000..0./s1
InChIKeyJJGRCDPMNUPQBJ-RWLDLAETSA-N
XLogP46.62
TPSA879.72 Ų
H-Bond Donors36
H-Bond Acceptors72
Rotatable Bonds97
Heavy Atoms379
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005185.98
LogP ≤ 546.62
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1072

Analyze 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 158932740) is 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C1CCNCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4ccc(O)c(Cl)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2ccc(F)c(-c3ccnc(NCCc4cccc(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCNc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is JJGRCDPMNUPQBJ-RWLDLAETSA-N. The full InChI is InChI=1S/3C26H33N5O.C25H29ClFN5O.C25H30ClN5O.2C25H30FN5O.3C25H31N5O.C24H28FN5O.C23H26ClN5O/c1-2-31(23-10-13-27-14-11-23)19-21-6-3-7-22(17-21)25-12-16-29-26(30-25)28-15-9-20-5-4-8-24(32)18-20;1-2-31(23-11-14-27-15-12-23)19-21-4-3-5-22(18-21)25-13-17-29-26(30-25)28-16-10-20-6-8-24(32)9-7-20;1-2-31(19-22-10-13-27-17-22)18-21-4-3-5-23(16-21)25-12-15-29-26(30-25)28-14-11-20-6-8-24(32)9-7-20;1-16-14-32(17(2)13-30-16)15-19-3-5-22(27)20(11-19)23-8-10-29-25(31-23)28-9-7-18-4-6-24(33)21(26)12-18;1-2-31(21-9-11-27-16-21)17-19-4-3-5-20(14-19)23-10-13-29-25(30-23)28-12-8-18-6-7-24(32)22(26)15-18;1-17-15-31(18(2)14-29-17)16-20-5-8-23(26)22(13-20)24-10-12-28-25(30-24)27-11-9-19-3-6-21(32)7-4-19;1-17-15-31(18(2)14-29-17)16-20-6-7-23(26)22(13-20)24-9-11-28-25(30-24)27-10-8-19-4-3-5-21(32)12-19;1-18-16-30(19(2)15-28-18)17-21-4-3-5-22(14-21)24-11-13-27-25(29-24)26-12-10-20-6-8-23(31)9-7-20;1-2-30(22-10-12-26-17-22)18-20-6-3-7-21(15-20)24-11-14-28-25(29-24)27-13-9-19-5-4-8-23(31)16-19;1-2-30(22-11-13-26-17-22)18-20-4-3-5-21(16-20)24-12-15-28-25(29-24)27-14-10-19-6-8-23(31)9-7-19;1-17-15-26-12-13-30(17)16-19-4-7-22(25)21(14-19)23-9-11-28-24(29-23)27-10-8-18-2-5-20(31)6-3-18;24-20-15-17(4-5-22(20)30)6-8-26-23-27-9-7-21(28-23)19-3-1-2-18(14-19)16-29-12-10-25-11-13-29/h3-8,12,16-18,23,27,32H,2,9-11,13-15,19H2,1H3,(H,28,29,30);3-9,13,17-18,23,27,32H,2,10-12,14-16,19H2,1H3,(H,28,29,30);3-9,12,15-16,22,27,32H,2,10-11,13-14,17-19H2,1H3,(H,28,29,30);3-6,8,10-12,16-17,30,33H,7,9,13-15H2,1-2H3,(H,28,29,31);3-7,10,13-15,21,27,32H,2,8-9,11-12,16-17H2,1H3,(H,28,29,30);3-8,10,12-13,17-18,29,32H,9,11,14-16H2,1-2H3,(H,27,28,30);3-7,9,11-13,17-18,29,32H,8,10,14-16H2,1-2H3,(H,27,28,30);3-9,11,13-14,18-19,28,31H,10,12,15-17H2,1-2H3,(H,26,27,29);3-8,11,14-16,22,26,31H,2,9-10,12-13,17-18H2,1H3,(H,27,28,29);3-9,12,15-16,22,26,31H,2,10-11,13-14,17-18H2,1H3,(H,27,28,29);2-7,9,11,14,17,26,31H,8,10,12-13,15-16H2,1H3,(H,27,28,29);1-5,7,9,14-15,25,30H,6,8,10-13,16H2,(H,26,27,28)/t;;22-;16-,17+;;2*17-,18-;18-,19-;;;17-;/m..11.000..0./s1.
What are the key properties of 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 5185.98 g/mol, XLogP of 46.62, 97 rotatable bonds, 36 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]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(piperidin-4-yl)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(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;4-[2-[[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 158932740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).