4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C117H132Cl4N22O16S5 — CID 157144667

About 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 157144667) has the molecular formula C117H132Cl4N22O16S5 and a molecular weight of 2404.63 g/mol. Its IUPAC name is 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 157144667
• Molecular Formula: C117H132Cl4N22O16S5
• Molecular Weight: 2404.63 g/mol
• Exact Mass: 2400.75
• IUPAC Name: 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: COc1cc(-c2ccc(C(N)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.COc1cc(-c2ccc(N3CCOCC3)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.COc1cc(-c2ccc(S(C)(=O)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCC(N2CCCC2)CC1
• InChI: InChI=1S/C33H44ClN5O3S.C30H33ClN6O4S.C27H27ClN6O4S.C27H28ClN5O5S2/c1-21(2)42-30-19-26(24-12-14-25(15-13-24)39-16-8-9-17-39)23(5)18-29(30)37-33-35-20-27(34)32(38-33)36-28-10-6-7-11-31(28)43(40,41)22(3)4;1-20-17-26(27(40-4)18-23(20)21-9-11-22(12-10-21)37-13-15-41-16-14-37)34-30-32-19-24(31)29(35-30)33-25-7-5-6-8-28(25)42(38,39)36(2)3;1-16-13-22(23(38-4)14-19(16)17-9-11-18(12-10-17)25(29)35)32-27-30-15-20(28)26(33-27)31-21-7-5-6-8-24(21)39(36,37)34(2)3;1-17-14-23(24(38-4)15-20(17)18-10-12-19(13-11-18)39(5,34)35)31-27-29-16-21(28)26(32-27)30-22-8-6-7-9-25(22)40(36,37)33(2)3/h6-7,10-11,18-22,24-25H,8-9,12-17H2,1-5H3,(H2,35,36,37,38);5-12,17-19H,13-16H2,1-4H3,(H2,32,33,34,35);5-15H,1-4H3,(H2,29,35)(H2,30,31,32,33);6-16H,1-5H3,(H2,29,30,31,32)
• InChIKey: AKOMQLBDDBBPLV-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 475.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2404.63
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 157144667) is 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is COc1cc(-c2ccc(C(N)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.COc1cc(-c2ccc(N3CCOCC3)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.COc1cc(-c2ccc(S(C)(=O)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCC(N2CCCC2)CC1.

What is the InChIKey of 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is AKOMQLBDDBBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44ClN5O3S.C30H33ClN6O4S.C27H27ClN6O4S.C27H28ClN5O5S2/c1-21(2)42-30-19-26(24-12-14-25(15-13-24)39-16-8-9-17-39)23(5)18-29(30)37-33-35-20-27(34)32(38-33)36-28-10-6-7-11-31(28)43(40,41)22(3)4;1-20-17-26(27(40-4)18-23(20)21-9-11-22(12-10-21)37-13-15-41-16-14-37)34-30-32-19-24(31)29(35-30)33-25-7-5-6-8-28(25)42(38,39)36(2)3;1-16-13-22(23(38-4)14-19(16)17-9-11-18(12-10-17)25(29)35)32-27-30-15-20(28)26(33-27)31-21-7-5-6-8-24(21)39(36,37)34(2)3;1-17-14-23(24(38-4)15-20(17)18-10-12-19(13-11-18)39(5,34)35)31-27-29-16-21(28)26(32-27)30-22-8-6-7-9-25(22)40(36,37)33(2)3/h6-7,10-11,18-22,24-25H,8-9,12-17H2,1-5H3,(H2,35,36,37,38);5-12,17-19H,13-16H2,1-4H3,(H2,32,33,34,35);5-15H,1-4H3,(H2,29,35)(H2,30,31,32,33);6-16H,1-5H3,(H2,29,30,31,32).

What are the key properties of 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2404.63 g/mol, XLogP of 23.91, 37 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157144667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).