N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C244H295ClF4N50O7S2 — CID 158328383

IUPACN-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.CCCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1)C1CCNCC1.COC(=O)C1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1
InChIInChI=1S/C26H32ClN5.C26H33N5O.C25H29N5O3.C25H31N5O.2C24H27F2N5.2C24H29N5O.C24H31N5S.C22H27N5S/c1-2-32(24-10-13-28-14-11-24)19-21-6-3-7-22(17-21)25-12-16-30-26(31-25)29-15-9-20-5-4-8-23(27)18-20;1-2-4-23-18-27-15-16-31(23)19-21-5-3-6-22(17-21)25-12-14-29-26(30-25)28-13-11-20-7-9-24(32)10-8-20;1-33-24(32)23-17-30(14-13-26-23)16-19-3-2-4-20(15-19)22-10-12-28-25(29-22)27-11-9-18-5-7-21(31)8-6-18;1-2-22-17-26-14-15-30(22)18-20-4-3-5-21(16-20)24-11-13-28-25(29-24)27-12-10-19-6-8-23(31)9-7-19;2*1-17-15-31(10-9-27-17)16-19-3-2-4-20(11-19)23-6-8-29-24(30-23)28-7-5-18-12-21(25)14-22(26)13-18;2*1-18-16-29(14-13-25-18)17-20-3-2-4-21(15-20)23-10-12-27-24(28-23)26-11-9-19-5-7-22(30)8-6-19;1-2-29(21-8-12-25-13-9-21)18-19-5-3-6-20(17-19)23-11-15-27-24(28-23)26-14-10-22-7-4-16-30-22;1-17-15-23-11-12-27(17)16-18-4-2-5-19(14-18)21-8-10-25-22(26-21)24-9-7-20-6-3-13-28-20/h3-8,12,16-18,24,28H,2,9-11,13-15,19H2,1H3,(H,29,30,31);3,5-10,12,14,17,23,27,32H,2,4,11,13,15-16,18-19H2,1H3,(H,28,29,30);2-8,10,12,15,23,26,31H,9,11,13-14,16-17H2,1H3,(H,27,28,29);3-9,11,13,16,22,26,31H,2,10,12,14-15,17-18H2,1H3,(H,27,28,29);2*2-4,6,8,11-14,17,27H,5,7,9-10,15-16H2,1H3,(H,28,29,30);2*2-8,10,12,15,18,25,30H,9,11,13-14,16-17H2,1H3,(H,26,27,28);3-7,11,15-17,21,25H,2,8-10,12-14,18H2,1H3,(H,26,27,28);2-6,8,10,13-14,17,23H,7,9,11-12,15-16H2,1H3,(H,24,25,26)/t;;;;2*17-;2*18-;;17-/m....1010.0/s1
InChIKeyGPRSZQCKSXCGCP-YUWLBIKRSA-N
MW4215.97 g/mol
LogP37.66
Rot. Bonds78

About N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 158328383) has the molecular formula C244H295ClF4N50O7S2 and a molecular weight of 4215.97 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID158328383
Molecular FormulaC244H295ClF4N50O7S2
Molecular Weight4215.97 g/mol
Exact Mass4212.33
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.CCCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1)C1CCNCC1.COC(=O)C1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1
InChIInChI=1S/C26H32ClN5.C26H33N5O.C25H29N5O3.C25H31N5O.2C24H27F2N5.2C24H29N5O.C24H31N5S.C22H27N5S/c1-2-32(24-10-13-28-14-11-24)19-21-6-3-7-22(17-21)25-12-16-30-26(31-25)29-15-9-20-5-4-8-23(27)18-20;1-2-4-23-18-27-15-16-31(23)19-21-5-3-6-22(17-21)25-12-14-29-26(30-25)28-13-11-20-7-9-24(32)10-8-20;1-33-24(32)23-17-30(14-13-26-23)16-19-3-2-4-20(15-19)22-10-12-28-25(29-22)27-11-9-18-5-7-21(31)8-6-18;1-2-22-17-26-14-15-30(22)18-20-4-3-5-21(16-20)24-11-13-28-25(29-24)27-12-10-19-6-8-23(31)9-7-19;2*1-17-15-31(10-9-27-17)16-19-3-2-4-20(11-19)23-6-8-29-24(30-23)28-7-5-18-12-21(25)14-22(26)13-18;2*1-18-16-29(14-13-25-18)17-20-3-2-4-21(15-20)23-10-12-27-24(28-23)26-11-9-19-5-7-22(30)8-6-19;1-2-29(21-8-12-25-13-9-21)18-19-5-3-6-20(17-19)23-11-15-27-24(28-23)26-14-10-22-7-4-16-30-22;1-17-15-23-11-12-27(17)16-18-4-2-5-19(14-18)21-8-10-25-22(26-21)24-9-7-20-6-3-13-28-20/h3-8,12,16-18,24,28H,2,9-11,13-15,19H2,1H3,(H,29,30,31);3,5-10,12,14,17,23,27,32H,2,4,11,13,15-16,18-19H2,1H3,(H,28,29,30);2-8,10,12,15,23,26,31H,9,11,13-14,16-17H2,1H3,(H,27,28,29);3-9,11,13,16,22,26,31H,2,10,12,14-15,17-18H2,1H3,(H,27,28,29);2*2-4,6,8,11-14,17,27H,5,7,9-10,15-16H2,1H3,(H,28,29,30);2*2-8,10,12,15,18,25,30H,9,11,13-14,16-17H2,1H3,(H,26,27,28);3-7,11,15-17,21,25H,2,8-10,12-14,18H2,1H3,(H,26,27,28);2-6,8,10,13-14,17,23H,7,9,11-12,15-16H2,1H3,(H,24,25,26)/t;;;;2*17-;2*18-;;17-/m....1010.0/s1
InChIKeyGPRSZQCKSXCGCP-YUWLBIKRSA-N
XLogP37.66
TPSA658.25 Ų
H-Bond Donors25
H-Bond Acceptors59
Rotatable Bonds78
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004215.97
LogP ≤ 537.66
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1059

Analyze N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 158328383) is N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is CCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.CCCC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1)C1CCNCC1.COC(=O)C1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is GPRSZQCKSXCGCP-YUWLBIKRSA-N. The full InChI is InChI=1S/C26H32ClN5.C26H33N5O.C25H29N5O3.C25H31N5O.2C24H27F2N5.2C24H29N5O.C24H31N5S.C22H27N5S/c1-2-32(24-10-13-28-14-11-24)19-21-6-3-7-22(17-21)25-12-16-30-26(31-25)29-15-9-20-5-4-8-23(27)18-20;1-2-4-23-18-27-15-16-31(23)19-21-5-3-6-22(17-21)25-12-14-29-26(30-25)28-13-11-20-7-9-24(32)10-8-20;1-33-24(32)23-17-30(14-13-26-23)16-19-3-2-4-20(15-19)22-10-12-28-25(29-22)27-11-9-18-5-7-21(31)8-6-18;1-2-22-17-26-14-15-30(22)18-20-4-3-5-21(16-20)24-11-13-28-25(29-24)27-12-10-19-6-8-23(31)9-7-19;2*1-17-15-31(10-9-27-17)16-19-3-2-4-20(11-19)23-6-8-29-24(30-23)28-7-5-18-12-21(25)14-22(26)13-18;2*1-18-16-29(14-13-25-18)17-20-3-2-4-21(15-20)23-10-12-27-24(28-23)26-11-9-19-5-7-22(30)8-6-19;1-2-29(21-8-12-25-13-9-21)18-19-5-3-6-20(17-19)23-11-15-27-24(28-23)26-14-10-22-7-4-16-30-22;1-17-15-23-11-12-27(17)16-18-4-2-5-19(14-18)21-8-10-25-22(26-21)24-9-7-20-6-3-13-28-20/h3-8,12,16-18,24,28H,2,9-11,13-15,19H2,1H3,(H,29,30,31);3,5-10,12,14,17,23,27,32H,2,4,11,13,15-16,18-19H2,1H3,(H,28,29,30);2-8,10,12,15,23,26,31H,9,11,13-14,16-17H2,1H3,(H,27,28,29);3-9,11,13,16,22,26,31H,2,10,12,14-15,17-18H2,1H3,(H,27,28,29);2*2-4,6,8,11-14,17,27H,5,7,9-10,15-16H2,1H3,(H,28,29,30);2*2-8,10,12,15,18,25,30H,9,11,13-14,16-17H2,1H3,(H,26,27,28);3-7,11,15-17,21,25H,2,8-10,12-14,18H2,1H3,(H,26,27,28);2-6,8,10,13-14,17,23H,7,9,11-12,15-16H2,1H3,(H,24,25,26)/t;;;;2*17-;2*18-;;17-/m....1010.0/s1.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 4215.97 g/mol, XLogP of 37.66, 78 rotatable bonds, 25 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;methyl 4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;4-[2-[[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;4-[2-[[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 158328383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).