3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one

C133H137Cl3N30O6 — CID 167659074

About 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one

3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 167659074) has the molecular formula C133H137Cl3N30O6 and a molecular weight of 2358.12 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one
• PubChem CID: 167659074
• Molecular Formula: C133H137Cl3N30O6
• Molecular Weight: 2358.12 g/mol
• Exact Mass: 2355.04
• IUPAC Name: 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one
• SMILES: Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2C)C3)c(C)c1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2C)C3)cc1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2C)C3)cc1C.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2Cl)C3)c(C)c1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2Cl)C3)cc1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2Cl)C3)cc1C
• InChI: InChI=1S/2C23H25N5O.2C22H22ClN5O.C22H23N5O.C21H20ClN5O/c1-14-9-10-19(11-17(14)4)25-22-24-12-18-13-28(23(29)27(5)21(18)26-22)20-15(2)7-6-8-16(20)3;1-14-9-10-19(17(4)11-14)25-22-24-12-18-13-28(23(29)27(5)21(18)26-22)20-15(2)7-6-8-16(20)3;1-13-8-9-17(10-15(13)3)25-21-24-11-16-12-28(22(29)27(4)20(16)26-21)19-14(2)6-5-7-18(19)23;1-13-8-9-18(15(3)10-13)25-21-24-11-16-12-28(22(29)27(4)20(16)26-21)19-14(2)6-5-7-17(19)23;1-14-8-10-18(11-9-14)24-21-23-12-17-13-27(22(28)26(4)20(17)25-21)19-15(2)6-5-7-16(19)3;1-13-7-9-16(10-8-13)24-20-23-11-15-12-27(21(28)26(3)19(15)25-20)18-14(2)5-4-6-17(18)22/h2*6-12H,13H2,1-5H3,(H,24,25,26);2*5-11H,12H2,1-4H3,(H,24,25,26);5-12H,13H2,1-4H3,(H,23,24,25);4-11H,12H2,1-3H3,(H,23,24,25)
• InChIKey: RRRBHTDPCGJBBP-UHFFFAOYSA-N
• XLogP: 30.60
• TPSA: 368.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.12
LogP ≤ 5	30.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one?

The IUPAC name of 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 167659074) is 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

What is the SMILES notation for 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one?

The canonical SMILES for 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one is Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2C)C3)c(C)c1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2C)C3)cc1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2C)C3)cc1C.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2Cl)C3)c(C)c1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2Cl)C3)cc1.Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(C)cccc2Cl)C3)cc1C.

What is the InChIKey of 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one?

The InChIKey is RRRBHTDPCGJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N5O.2C22H22ClN5O.C22H23N5O.C21H20ClN5O/c1-14-9-10-19(11-17(14)4)25-22-24-12-18-13-28(23(29)27(5)21(18)26-22)20-15(2)7-6-8-16(20)3;1-14-9-10-19(17(4)11-14)25-22-24-12-18-13-28(23(29)27(5)21(18)26-22)20-15(2)7-6-8-16(20)3;1-13-8-9-17(10-15(13)3)25-21-24-11-16-12-28(22(29)27(4)20(16)26-21)19-14(2)6-5-7-18(19)23;1-13-8-9-18(15(3)10-13)25-21-24-11-16-12-28(22(29)27(4)20(16)26-21)19-14(2)6-5-7-17(19)23;1-14-8-10-18(11-9-14)24-21-23-12-17-13-27(22(28)26(4)20(17)25-21)19-15(2)6-5-7-16(19)3;1-13-7-9-16(10-8-13)24-20-23-11-15-12-27(21(28)26(3)19(15)25-20)18-14(2)5-4-6-17(18)22/h2*6-12H,13H2,1-5H3,(H,24,25,26);2*5-11H,12H2,1-4H3,(H,24,25,26);5-12H,13H2,1-4H3,(H,23,24,25);4-11H,12H2,1-3H3,(H,23,24,25).

What are the key properties of 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one?

3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 2358.12 g/mol, XLogP of 30.60, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-methylphenyl)-7-(2,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-(3,4-dimethylanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(2,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-(3,4-dimethylanilino)-3-(2,6-dimethylphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-methyl-7-(4-methylanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 167659074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).