2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one

C24H29N5O — CID 73357960

About 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one (PubChem CID 73357960) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one.

Molecular Properties

• Compound Name: 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one
• PubChem CID: 73357960
• Molecular Formula: C24H29N5O
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.24
• IUPAC Name: 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one
• SMILES: CCc1ccc2nc(NC3NC(=O)C(Cc4ccccc4C)C(C)N3)nc(C)c2c1
• InChI: InChI=1S/C24H29N5O/c1-5-17-10-11-21-19(12-17)15(3)25-23(27-21)29-24-26-16(4)20(22(30)28-24)13-18-9-7-6-8-14(18)2/h6-12,16,20,24,26H,5,13H2,1-4H3,(H,28,30)(H,25,27,29)
• InChIKey: PZXPKYFYYBMPBC-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 78.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one?

The IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one (CID 73357960) is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one.

What is the SMILES notation for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one?

The canonical SMILES for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one is CCc1ccc2nc(NC3NC(=O)C(Cc4ccccc4C)C(C)N3)nc(C)c2c1.

What is the InChIKey of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one?

The InChIKey is PZXPKYFYYBMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-5-17-10-11-21-19(12-17)15(3)25-23(27-21)29-24-26-16(4)20(22(30)28-24)13-18-9-7-6-8-14(18)2/h6-12,16,20,24,26H,5,13H2,1-4H3,(H,28,30)(H,25,27,29).

What are the key properties of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one?

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one has a molecular weight of 403.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one is sourced from PubChem (CID 73357960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).