5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C89H98Cl3F6N17O12P4S3 — CID 161078615

About 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 161078615) has the molecular formula C89H98Cl3F6N17O12P4S3 and a molecular weight of 2038.31 g/mol. Its IUPAC name is 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 161078615
• Molecular Formula: C89H98Cl3F6N17O12P4S3
• Molecular Weight: 2038.31 g/mol
• Exact Mass: 2035.47
• IUPAC Name: 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CCc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccc(Cl)cc2C#N)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C23H28ClN4O3PS.C23H26F3N4O4PS.C22H26ClN4O3PS.C21H18ClF3N5O2P/c1-6-16-13-17(32(4,5)29)11-12-19(16)27-23-25-14-18(24)22(28-23)26-20-9-7-8-10-21(20)33(30,31)15(2)3;1-14(2)36(32,33)20-9-7-6-8-18(20)28-21-16(23(24,25)26)13-27-22(30-21)29-17-11-10-15(35(4,5)31)12-19(17)34-3;1-14(2)32(29,30)20-9-7-6-8-19(20)25-21-17(23)13-24-22(27-21)26-18-11-10-16(12-15(18)3)31(4,5)28;1-32-18-9-14(33(2,3)31)5-7-17(18)29-20-27-11-15(21(23,24)25)19(30-20)28-16-6-4-13(22)8-12(16)10-26/h7-15H,6H2,1-5H3,(H2,25,26,27,28);6-14H,1-5H3,(H2,27,28,29,30);6-14H,1-5H3,(H2,24,25,26,27);4-9,11H,1-3H3,(H2,27,28,29,30)
• InChIKey: UFPNMXHMWYDJHK-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 412.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.31
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 161078615) is 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccc(Cl)cc2C#N)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is UFPNMXHMWYDJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN4O3PS.C23H26F3N4O4PS.C22H26ClN4O3PS.C21H18ClF3N5O2P/c1-6-16-13-17(32(4,5)29)11-12-19(16)27-23-25-14-18(24)22(28-23)26-20-9-7-8-10-21(20)33(30,31)15(2)3;1-14(2)36(32,33)20-9-7-6-8-18(20)28-21-16(23(24,25)26)13-27-22(30-21)29-17-11-10-15(35(4,5)31)12-19(17)34-3;1-14(2)32(29,30)20-9-7-6-8-19(20)25-21-17(23)13-24-22(27-21)26-18-11-10-16(12-15(18)3)31(4,5)28;1-32-18-9-14(33(2,3)31)5-7-17(18)29-20-27-11-15(21(23,24)25)19(30-20)28-16-6-4-13(22)8-12(16)10-26/h7-15H,6H2,1-5H3,(H2,25,26,27,28);6-14H,1-5H3,(H2,27,28,29,30);6-14H,1-5H3,(H2,24,25,26,27);4-9,11H,1-3H3,(H2,27,28,29,30).

What are the key properties of 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2038.31 g/mol, XLogP of 22.15, 29 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-(4-dimethylphosphoryl-2-ethylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile;5-chloro-2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161078615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).