5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C106H102Cl4N18O10S3 — CID 157461635

About 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 157461635) has the molecular formula C106H102Cl4N18O10S3 and a molecular weight of 2026.11 g/mol. Its IUPAC name is 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 157461635
• Molecular Formula: C106H102Cl4N18O10S3
• Molecular Weight: 2026.11 g/mol
• Exact Mass: 2022.59
• IUPAC Name: 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: COc1cc(-c2ccc(C)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2C#N)n1.COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
• InChI: InChI=1S/C28H29ClN4O3S.C27H27ClN4O3S.C26H26ClN5O3S.C25H20ClN5O/c1-17(2)37(34,35)26-9-7-6-8-23(26)31-27-22(29)16-30-28(33-27)32-24-14-19(4)21(15-25(24)36-5)20-12-10-18(3)11-13-20;1-17(2)36(33,34)25-13-9-8-12-22(25)30-26-21(28)16-29-27(32-26)31-23-14-18(3)20(15-24(23)35-4)19-10-6-5-7-11-19;1-17-14-22(23(35-4)15-19(17)18-10-6-5-7-11-18)30-26-28-16-20(27)25(31-26)29-21-12-8-9-13-24(21)36(33,34)32(2)3;1-16-12-22(23(32-2)13-19(16)17-8-4-3-5-9-17)30-25-28-15-20(26)24(31-25)29-21-11-7-6-10-18(21)14-27/h6-17H,1-5H3,(H2,30,31,32,33);5-17H,1-4H3,(H2,29,30,31,32);5-16H,1-4H3,(H2,28,29,30,31);3-13,15H,1-2H3,(H2,28,29,30,31)
• InChIKey: BTZOGDWSKYZXSP-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 365.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2026.11
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 157461635) is 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is COc1cc(-c2ccc(C)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2C#N)n1.COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1.

What is the InChIKey of 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is BTZOGDWSKYZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3S.C27H27ClN4O3S.C26H26ClN5O3S.C25H20ClN5O/c1-17(2)37(34,35)26-9-7-6-8-23(26)31-27-22(29)16-30-28(33-27)32-24-14-19(4)21(15-25(24)36-5)20-12-10-18(3)11-13-20;1-17(2)36(33,34)25-13-9-8-12-22(25)30-26-21(28)16-29-27(32-26)31-23-14-18(3)20(15-24(23)35-4)19-10-6-5-7-11-19;1-17-14-22(23(35-4)15-19(17)18-10-6-5-7-11-18)30-26-28-16-20(27)25(31-26)29-21-12-8-9-13-24(21)36(33,34)32(2)3;1-16-12-22(23(32-2)13-19(16)17-8-4-3-5-9-17)30-25-28-15-20(26)24(31-25)29-21-11-7-6-10-18(21)14-27/h6-17H,1-5H3,(H2,30,31,32,33);5-17H,1-4H3,(H2,29,30,31,32);5-16H,1-4H3,(H2,28,29,30,31);3-13,15H,1-2H3,(H2,28,29,30,31).

What are the key properties of 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2026.11 g/mol, XLogP of 26.20, 30 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[2-methoxy-5-methyl-4-(4-methylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile;2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157461635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).