5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C23H22ClN5O — CID 135727198

About 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135727198) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
• PubChem CID: 135727198
• Molecular Formula: C23H22ClN5O
• Molecular Weight: 419.92 g/mol
• Exact Mass: 419.15
• IUPAC Name: 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
• SMILES: Cc1cc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2cc1C
• InChI: InChI=1S/C23H22ClN5O/c1-12-9-17-14(3)25-22(27-20(17)10-13(12)2)29-23-26-15(4)18(21(30)28-23)11-16-7-5-6-8-19(16)24/h5-10H,11H2,1-4H3,(H2,25,26,27,28,29,30)
• InChIKey: TZVXGAGVBKBBFA-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.92
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?

The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135727198) is 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?

The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is Cc1cc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2cc1C.

What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?

The InChIKey is TZVXGAGVBKBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-12-9-17-14(3)25-22(27-20(17)10-13(12)2)29-23-26-15(4)18(21(30)28-23)11-16-7-5-6-8-19(16)24/h5-10H,11H2,1-4H3,(H2,25,26,27,28,29,30).

What are the key properties of 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?

5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 419.92 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).