N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine

C148H184Cl2N38O13S4 — CID 161334616

IUPACN-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3ccc(N4CCNCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(C[N+]3([O-])CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H35N7O2S.C26H34N6O4S.C26H34N6O3S.C24H29ClN6O.C24H27N7O2S.C22H25ClN6O/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4;1-19-17-27-25(29-21-10-8-20(9-11-21)18-32(33)12-14-36-15-13-32)30-24(19)28-22-6-5-7-23(16-22)37(34,35)31-26(2,3)4;1-19-17-27-25(29-21-10-8-20(9-11-21)18-32-12-14-35-15-13-32)30-24(19)28-22-6-5-7-23(16-22)36(33,34)31-26(2,3)4;1-17-15-26-24(29-23(17)27-20-8-9-21(25)22(14-20)32-3)28-19-6-4-18(5-7-19)16-31-12-10-30(2)11-13-31;1-17-16-25-23(28-18-9-11-20(12-10-18)31-14-6-13-26-31)29-22(17)27-19-7-5-8-21(15-19)34(32,33)30-24(2,3)4;1-15-14-25-22(28-21(15)26-17-5-8-19(23)20(13-17)30-2)27-16-3-6-18(7-4-16)29-11-9-24-10-12-29/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30);5-11,16-17,31H,12-15,18H2,1-4H3,(H2,27,28,29,30);5-11,16-17,31H,12-15,18H2,1-4H3,(H2,27,28,29,30);4-9,14-15H,10-13,16H2,1-3H3,(H2,26,27,28,29);5-16,30H,1-4H3,(H2,25,27,28,29);3-8,13-14,24H,9-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyVLWBRWKMKALCRI-UHFFFAOYSA-N
MW2902.53 g/mol
LogP26.04
Rot. Bonds43

About N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine

N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 161334616) has the molecular formula C148H184Cl2N38O13S4 and a molecular weight of 2902.53 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
PubChem CID161334616
Molecular FormulaC148H184Cl2N38O13S4
Molecular Weight2902.53 g/mol
Exact Mass2899.32
IUPAC NameN-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3ccc(N4CCNCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(C[N+]3([O-])CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H35N7O2S.C26H34N6O4S.C26H34N6O3S.C24H29ClN6O.C24H27N7O2S.C22H25ClN6O/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4;1-19-17-27-25(29-21-10-8-20(9-11-21)18-32(33)12-14-36-15-13-32)30-24(19)28-22-6-5-7-23(16-22)37(34,35)31-26(2,3)4;1-19-17-27-25(29-21-10-8-20(9-11-21)18-32-12-14-35-15-13-32)30-24(19)28-22-6-5-7-23(16-22)36(33,34)31-26(2,3)4;1-17-15-26-24(29-23(17)27-20-8-9-21(25)22(14-20)32-3)28-19-6-4-18(5-7-19)16-31-12-10-30(2)11-13-31;1-17-16-25-23(28-18-9-11-20(12-10-18)31-14-6-13-26-31)29-22(17)27-19-7-5-8-21(15-19)34(32,33)30-24(2,3)4;1-15-14-25-22(28-21(15)26-17-5-8-19(23)20(13-17)30-2)27-16-3-6-18(7-4-16)29-11-9-24-10-12-29/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30);5-11,16-17,31H,12-15,18H2,1-4H3,(H2,27,28,29,30);5-11,16-17,31H,12-15,18H2,1-4H3,(H2,27,28,29,30);4-9,14-15H,10-13,16H2,1-3H3,(H2,26,27,28,29);5-16,30H,1-4H3,(H2,25,27,28,29);3-8,13-14,24H,9-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyVLWBRWKMKALCRI-UHFFFAOYSA-N
XLogP26.04
TPSA592.99 Ų
H-Bond Donors17
H-Bond Acceptors46
Rotatable Bonds43
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002902.53
LogP ≤ 526.04
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine (CID 161334616) is N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3ccc(N4CCNCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(C[N+]3([O-])CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is VLWBRWKMKALCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2S.C26H34N6O4S.C26H34N6O3S.C24H29ClN6O.C24H27N7O2S.C22H25ClN6O/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4;1-19-17-27-25(29-21-10-8-20(9-11-21)18-32(33)12-14-36-15-13-32)30-24(19)28-22-6-5-7-23(16-22)37(34,35)31-26(2,3)4;1-19-17-27-25(29-21-10-8-20(9-11-21)18-32-12-14-35-15-13-32)30-24(19)28-22-6-5-7-23(16-22)36(33,34)31-26(2,3)4;1-17-15-26-24(29-23(17)27-20-8-9-21(25)22(14-20)32-3)28-19-6-4-18(5-7-19)16-31-12-10-30(2)11-13-31;1-17-16-25-23(28-18-9-11-20(12-10-18)31-14-6-13-26-31)29-22(17)27-19-7-5-8-21(15-19)34(32,33)30-24(2,3)4;1-15-14-25-22(28-21(15)26-17-5-8-19(23)20(13-17)30-2)27-16-3-6-18(7-4-16)29-11-9-24-10-12-29/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30);5-11,16-17,31H,12-15,18H2,1-4H3,(H2,27,28,29,30);5-11,16-17,31H,12-15,18H2,1-4H3,(H2,27,28,29,30);4-9,14-15H,10-13,16H2,1-3H3,(H2,26,27,28,29);5-16,30H,1-4H3,(H2,25,27,28,29);3-8,13-14,24H,9-12H2,1-2H3,(H2,25,26,27,28).
What are the key properties of N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine?
N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2902.53 g/mol, XLogP of 26.04, 43 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161334616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).