2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine

C184H214ClN35O14S6 — CID 159596385

IUPAC2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.COc1cc(Nc2nc(Nc3ccc(CN4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cc3ccccc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cn3cccc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cn3cccc3C)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C29H32N4O2S.C28H33N5O2S.C27H31N5O2S.C26H30N6O2S.C25H28N6O2S.C25H32N4O3S.C24H28ClN5O/c1-21-19-30-28(32-24-15-13-23(14-16-24)17-22-9-6-5-7-10-22)33-27(21)31-25-11-8-12-26(18-25)36(34,35)20-29(2,3)4;1-20-17-29-27(31-23-13-11-22(12-14-23)18-33-15-7-8-21(33)2)32-26(20)30-24-9-6-10-25(16-24)36(34,35)19-28(3,4)5;1-20-17-28-26(30-22-12-10-21(11-13-22)18-32-14-5-6-15-32)31-25(20)29-23-8-7-9-24(16-23)35(33,34)19-27(2,3)4;1-18-16-28-25(30-20-9-11-22(12-10-20)32-14-13-27-19(32)2)31-24(18)29-21-7-6-8-23(15-21)35(33,34)17-26(3,4)5;1-18-15-27-24(29-19-8-10-21(11-9-19)31-13-12-26-17-31)30-23(18)28-20-6-5-7-22(14-20)34(32,33)16-25(2,3)4;1-6-14-32-21-12-10-19(11-13-21)28-24-26-16-18(2)23(29-24)27-20-8-7-9-22(15-20)33(30,31)17-25(3,4)5;1-17-15-26-24(29-23(17)27-20-10-11-21(25)22(14-20)31-2)28-19-8-6-18(7-9-19)16-30-12-4-3-5-13-30/h5-16,18-19H,17,20H2,1-4H3,(H2,30,31,32,33);6-17H,18-19H2,1-5H3,(H2,29,30,31,32);5-17H,18-19H2,1-4H3,(H2,28,29,30,31);6-16H,17H2,1-5H3,(H2,28,29,30,31);5-15,17H,16H2,1-4H3,(H2,27,28,29,30);7-13,15-16H,6,14,17H2,1-5H3,(H2,26,27,28,29);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,26,27,28,29)
InChIKeyMKXBBRFMUWZVFD-UHFFFAOYSA-N
MW3367.82 g/mol
LogP41.54
Rot. Bonds54

About 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine

2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 159596385) has the molecular formula C184H214ClN35O14S6 and a molecular weight of 3367.82 g/mol. Its IUPAC name is 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID159596385
Molecular FormulaC184H214ClN35O14S6
Molecular Weight3367.82 g/mol
Exact Mass3364.51
IUPAC Name2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.COc1cc(Nc2nc(Nc3ccc(CN4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cc3ccccc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cn3cccc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cn3cccc3C)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C29H32N4O2S.C28H33N5O2S.C27H31N5O2S.C26H30N6O2S.C25H28N6O2S.C25H32N4O3S.C24H28ClN5O/c1-21-19-30-28(32-24-15-13-23(14-16-24)17-22-9-6-5-7-10-22)33-27(21)31-25-11-8-12-26(18-25)36(34,35)20-29(2,3)4;1-20-17-29-27(31-23-13-11-22(12-14-23)18-33-15-7-8-21(33)2)32-26(20)30-24-9-6-10-25(16-24)36(34,35)19-28(3,4)5;1-20-17-28-26(30-22-12-10-21(11-13-22)18-32-14-5-6-15-32)31-25(20)29-23-8-7-9-24(16-23)35(33,34)19-27(2,3)4;1-18-16-28-25(30-20-9-11-22(12-10-20)32-14-13-27-19(32)2)31-24(18)29-21-7-6-8-23(15-21)35(33,34)17-26(3,4)5;1-18-15-27-24(29-19-8-10-21(11-9-19)31-13-12-26-17-31)30-23(18)28-20-6-5-7-22(14-20)34(32,33)16-25(2,3)4;1-6-14-32-21-12-10-19(11-13-21)28-24-26-16-18(2)23(29-24)27-20-8-7-9-22(15-20)33(30,31)17-25(3,4)5;1-17-15-26-24(29-23(17)27-20-10-11-21(25)22(14-20)31-2)28-19-8-6-18(7-9-19)16-30-12-4-3-5-13-30/h5-16,18-19H,17,20H2,1-4H3,(H2,30,31,32,33);6-17H,18-19H2,1-5H3,(H2,29,30,31,32);5-17H,18-19H2,1-4H3,(H2,28,29,30,31);6-16H,17H2,1-5H3,(H2,28,29,30,31);5-15,17H,16H2,1-4H3,(H2,27,28,29,30);7-13,15-16H,6,14,17H2,1-5H3,(H2,26,27,28,29);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,26,27,28,29)
InChIKeyMKXBBRFMUWZVFD-UHFFFAOYSA-N
XLogP41.54
TPSA620.92 Ų
H-Bond Donors14
H-Bond Acceptors49
Rotatable Bonds54
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003367.82
LogP ≤ 541.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1049

Analyze 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine (CID 159596385) is 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine is CCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.COc1cc(Nc2nc(Nc3ccc(CN4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cc3ccccc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cn3cccc3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(Cn3cccc3C)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.
What is the InChIKey of 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MKXBBRFMUWZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2S.C28H33N5O2S.C27H31N5O2S.C26H30N6O2S.C25H28N6O2S.C25H32N4O3S.C24H28ClN5O/c1-21-19-30-28(32-24-15-13-23(14-16-24)17-22-9-6-5-7-10-22)33-27(21)31-25-11-8-12-26(18-25)36(34,35)20-29(2,3)4;1-20-17-29-27(31-23-13-11-22(12-14-23)18-33-15-7-8-21(33)2)32-26(20)30-24-9-6-10-25(16-24)36(34,35)19-28(3,4)5;1-20-17-28-26(30-22-12-10-21(11-13-22)18-32-14-5-6-15-32)31-25(20)29-23-8-7-9-24(16-23)35(33,34)19-27(2,3)4;1-18-16-28-25(30-20-9-11-22(12-10-20)32-14-13-27-19(32)2)31-24(18)29-21-7-6-8-23(15-21)35(33,34)17-26(3,4)5;1-18-15-27-24(29-19-8-10-21(11-9-19)31-13-12-26-17-31)30-23(18)28-20-6-5-7-22(14-20)34(32,33)16-25(2,3)4;1-6-14-32-21-12-10-19(11-13-21)28-24-26-16-18(2)23(29-24)27-20-8-7-9-22(15-20)33(30,31)17-25(3,4)5;1-17-15-26-24(29-23(17)27-20-10-11-21(25)22(14-20)31-2)28-19-8-6-18(7-9-19)16-30-12-4-3-5-13-30/h5-16,18-19H,17,20H2,1-4H3,(H2,30,31,32,33);6-17H,18-19H2,1-5H3,(H2,29,30,31,32);5-17H,18-19H2,1-4H3,(H2,28,29,30,31);6-16H,17H2,1-5H3,(H2,28,29,30,31);5-15,17H,16H2,1-4H3,(H2,27,28,29,30);7-13,15-16H,6,14,17H2,1-5H3,(H2,26,27,28,29);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine?
2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 3367.82 g/mol, XLogP of 41.54, 54 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-benzylphenyl)-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159596385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).