N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C256H310F12N52O7 — CID 158612191

IUPACN-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCC1NCCN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(CCN1CCNCC1)Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.CCN(Cc1ccc(F)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C[C@@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCNc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCNc2nccc(-c3cccc(CNCC[C@H]4CCCN4)c3)n2)cc1
InChIInChI=1S/C27H32F3N5.C27H34F2N6.C27H35N5O.C26H32FN5.C26H31N5O3.2C25H29F2N5.C25H31N5O2.C25H31N5O.C23H26F2N6/c1-2-35(18-21-4-3-9-31-16-21)17-20-5-6-25(30)24(14-20)26-8-11-33-27(34-26)32-10-7-19-12-22(28)15-23(29)13-19;1-2-34(14-15-35-12-10-30-11-13-35)20-22-4-3-5-23(16-22)26-7-9-32-27(33-26)31-8-6-21-17-24(28)19-25(29)18-21;1-3-32(24-11-14-28-15-12-24)20-22-7-4-8-23(18-22)26-13-17-30-27(31-26)29-16-10-21-6-5-9-25(19-21)33-2;1-2-32(19-24-10-5-13-28-24)18-21-7-3-8-22(16-21)25-12-15-30-26(31-25)29-14-11-20-6-4-9-23(27)17-20;32-23-7-4-19(5-8-23)10-12-28-26-29-13-11-24(30-26)21-3-1-2-20(16-21)18-31-15-14-27-17-22(31)6-9-25(33)34;1-17-15-32(18(2)14-30-17)16-20-4-3-5-21(10-20)24-7-9-29-25(31-24)28-8-6-19-11-22(26)13-23(27)12-19;1-17-18(2)32(11-10-28-17)16-20-4-3-5-21(12-20)24-7-9-30-25(31-24)29-8-6-19-13-22(26)15-23(27)14-19;1-18-16-26-12-13-30(18)17-20-4-3-5-21(14-20)22-9-11-28-25(29-22)27-10-8-19-6-7-24(32-2)23(31)15-19;31-23-8-6-19(7-9-23)10-15-28-25-29-16-12-24(30-25)21-4-1-3-20(17-21)18-26-14-11-22-5-2-13-27-22;1-16-12-26-6-7-31(16)15-18-8-19(14-27-13-18)22-3-5-29-23(30-22)28-4-2-17-9-20(24)11-21(25)10-17/h5-6,8,11-15,21,31H,2-4,7,9-10,16-18H2,1H3,(H,32,33,34);3-5,7,9,16-19,30H,2,6,8,10-15,20H2,1H3,(H,31,32,33);4-9,13,17-19,24,28H,3,10-12,14-16,20H2,1-2H3,(H,29,30,31);3-4,6-9,12,15-17,24,28H,2,5,10-11,13-14,18-19H2,1H3,(H,29,30,31);1-5,7-8,11,13,16,22,27,32H,6,9-10,12,14-15,17-18H2,(H,33,34)(H,28,29,30);3-5,7,9-13,17-18,30H,6,8,14-16H2,1-2H3,(H,28,29,31);3-5,7,9,12-15,17-18,28H,6,8,10-11,16H2,1-2H3,(H,29,30,31);3-7,9,11,14-15,18,26,31H,8,10,12-13,16-17H2,1-2H3,(H,27,28,29);1,3-4,6-9,12,16-17,22,26-27,31H,2,5,10-11,13-15,18H2,(H,28,29,30);3,5,8-11,13-14,16,26H,2,4,6-7,12,15H2,1H3,(H,28,29,30)/t21-;;;24-;;17-,18+;;18-;22-;16-/m0..0.1.010/s1
InChIKeyHWYWNBCDZILKEF-MUODFGRWSA-N
MW4455.63 g/mol
LogP39.70
Rot. Bonds90

About N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 158612191) has the molecular formula C256H310F12N52O7 and a molecular weight of 4455.63 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID158612191
Molecular FormulaC256H310F12N52O7
Molecular Weight4455.63 g/mol
Exact Mass4452.53
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCC1NCCN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(CCN1CCNCC1)Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.CCN(Cc1ccc(F)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C[C@@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCNc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCNc2nccc(-c3cccc(CNCC[C@H]4CCCN4)c3)n2)cc1
InChIInChI=1S/C27H32F3N5.C27H34F2N6.C27H35N5O.C26H32FN5.C26H31N5O3.2C25H29F2N5.C25H31N5O2.C25H31N5O.C23H26F2N6/c1-2-35(18-21-4-3-9-31-16-21)17-20-5-6-25(30)24(14-20)26-8-11-33-27(34-26)32-10-7-19-12-22(28)15-23(29)13-19;1-2-34(14-15-35-12-10-30-11-13-35)20-22-4-3-5-23(16-22)26-7-9-32-27(33-26)31-8-6-21-17-24(28)19-25(29)18-21;1-3-32(24-11-14-28-15-12-24)20-22-7-4-8-23(18-22)26-13-17-30-27(31-26)29-16-10-21-6-5-9-25(19-21)33-2;1-2-32(19-24-10-5-13-28-24)18-21-7-3-8-22(16-21)25-12-15-30-26(31-25)29-14-11-20-6-4-9-23(27)17-20;32-23-7-4-19(5-8-23)10-12-28-26-29-13-11-24(30-26)21-3-1-2-20(16-21)18-31-15-14-27-17-22(31)6-9-25(33)34;1-17-15-32(18(2)14-30-17)16-20-4-3-5-21(10-20)24-7-9-29-25(31-24)28-8-6-19-11-22(26)13-23(27)12-19;1-17-18(2)32(11-10-28-17)16-20-4-3-5-21(12-20)24-7-9-30-25(31-24)29-8-6-19-13-22(26)15-23(27)14-19;1-18-16-26-12-13-30(18)17-20-4-3-5-21(14-20)22-9-11-28-25(29-22)27-10-8-19-6-7-24(32-2)23(31)15-19;31-23-8-6-19(7-9-23)10-15-28-25-29-16-12-24(30-25)21-4-1-3-20(17-21)18-26-14-11-22-5-2-13-27-22;1-16-12-26-6-7-31(16)15-18-8-19(14-27-13-18)22-3-5-29-23(30-22)28-4-2-17-9-20(24)11-21(25)10-17/h5-6,8,11-15,21,31H,2-4,7,9-10,16-18H2,1H3,(H,32,33,34);3-5,7,9,16-19,30H,2,6,8,10-15,20H2,1H3,(H,31,32,33);4-9,13,17-19,24,28H,3,10-12,14-16,20H2,1-2H3,(H,29,30,31);3-4,6-9,12,15-17,24,28H,2,5,10-11,13-14,18-19H2,1H3,(H,29,30,31);1-5,7-8,11,13,16,22,27,32H,6,9-10,12,14-15,17-18H2,(H,33,34)(H,28,29,30);3-5,7,9-13,17-18,30H,6,8,14-16H2,1-2H3,(H,28,29,31);3-5,7,9,12-15,17-18,28H,6,8,10-11,16H2,1-2H3,(H,29,30,31);3-7,9,11,14-15,18,26,31H,8,10,12-13,16-17H2,1-2H3,(H,27,28,29);1,3-4,6-9,12,16-17,22,26-27,31H,2,5,10-11,13-15,18H2,(H,28,29,30);3,5,8-11,13-14,16,26H,2,4,6-7,12,15H2,1H3,(H,28,29,30)/t21-;;;24-;;17-,18+;;18-;22-;16-/m0..0.1.010/s1
InChIKeyHWYWNBCDZILKEF-MUODFGRWSA-N
XLogP39.70
TPSA672.17 Ų
H-Bond Donors25
H-Bond Acceptors58
Rotatable Bonds90
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004455.63
LogP ≤ 539.70
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1058

Analyze N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 158612191) is N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is CC1NCCN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(CCN1CCNCC1)Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.CCN(Cc1ccc(F)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C[C@@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCNc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.O=C(O)CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCNc2nccc(-c3cccc(CNCC[C@H]4CCCN4)c3)n2)cc1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is HWYWNBCDZILKEF-MUODFGRWSA-N. The full InChI is InChI=1S/C27H32F3N5.C27H34F2N6.C27H35N5O.C26H32FN5.C26H31N5O3.2C25H29F2N5.C25H31N5O2.C25H31N5O.C23H26F2N6/c1-2-35(18-21-4-3-9-31-16-21)17-20-5-6-25(30)24(14-20)26-8-11-33-27(34-26)32-10-7-19-12-22(28)15-23(29)13-19;1-2-34(14-15-35-12-10-30-11-13-35)20-22-4-3-5-23(16-22)26-7-9-32-27(33-26)31-8-6-21-17-24(28)19-25(29)18-21;1-3-32(24-11-14-28-15-12-24)20-22-7-4-8-23(18-22)26-13-17-30-27(31-26)29-16-10-21-6-5-9-25(19-21)33-2;1-2-32(19-24-10-5-13-28-24)18-21-7-3-8-22(16-21)25-12-15-30-26(31-25)29-14-11-20-6-4-9-23(27)17-20;32-23-7-4-19(5-8-23)10-12-28-26-29-13-11-24(30-26)21-3-1-2-20(16-21)18-31-15-14-27-17-22(31)6-9-25(33)34;1-17-15-32(18(2)14-30-17)16-20-4-3-5-21(10-20)24-7-9-29-25(31-24)28-8-6-19-11-22(26)13-23(27)12-19;1-17-18(2)32(11-10-28-17)16-20-4-3-5-21(12-20)24-7-9-30-25(31-24)29-8-6-19-13-22(26)15-23(27)14-19;1-18-16-26-12-13-30(18)17-20-4-3-5-21(14-20)22-9-11-28-25(29-22)27-10-8-19-6-7-24(32-2)23(31)15-19;31-23-8-6-19(7-9-23)10-15-28-25-29-16-12-24(30-25)21-4-1-3-20(17-21)18-26-14-11-22-5-2-13-27-22;1-16-12-26-6-7-31(16)15-18-8-19(14-27-13-18)22-3-5-29-23(30-22)28-4-2-17-9-20(24)11-21(25)10-17/h5-6,8,11-15,21,31H,2-4,7,9-10,16-18H2,1H3,(H,32,33,34);3-5,7,9,16-19,30H,2,6,8,10-15,20H2,1H3,(H,31,32,33);4-9,13,17-19,24,28H,3,10-12,14-16,20H2,1-2H3,(H,29,30,31);3-4,6-9,12,15-17,24,28H,2,5,10-11,13-14,18-19H2,1H3,(H,29,30,31);1-5,7-8,11,13,16,22,27,32H,6,9-10,12,14-15,17-18H2,(H,33,34)(H,28,29,30);3-5,7,9-13,17-18,30H,6,8,14-16H2,1-2H3,(H,28,29,31);3-5,7,9,12-15,17-18,28H,6,8,10-11,16H2,1-2H3,(H,29,30,31);3-7,9,11,14-15,18,26,31H,8,10,12-13,16-17H2,1-2H3,(H,27,28,29);1,3-4,6-9,12,16-17,22,26-27,31H,2,5,10-11,13-15,18H2,(H,28,29,30);3,5,8-11,13-14,16,26H,2,4,6-7,12,15H2,1H3,(H,28,29,30)/t21-;;;24-;;17-,18+;;18-;22-;16-/m0..0.1.010/s1.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 4455.63 g/mol, XLogP of 39.70, 90 rotatable bonds, 25 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;3-[1-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid;2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[2-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 158612191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).