(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide

C21H20N6O3 — CID 1146691

About (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 1146691) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
• PubChem CID: 1146691
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
• SMILES: COc1ccc2nc(NC3=N[C@@H](C(=O)Nc4ccccc4)CC(=O)N3)nc(C)c2c1
• InChI: InChI=1S/C21H20N6O3/c1-12-15-10-14(30-2)8-9-16(15)24-20(22-12)27-21-25-17(11-18(28)26-21)19(29)23-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,23,29)(H2,22,24,25,26,27,28)/t17-/m1/s1
• InChIKey: WJVFNYGIAUKPBZ-QGZVFWFLSA-N
• XLogP: 2.24
• TPSA: 117.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The IUPAC name of (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 1146691) is (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The canonical SMILES for (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide is COc1ccc2nc(NC3=N[C@@H](C(=O)Nc4ccccc4)CC(=O)N3)nc(C)c2c1.

What is the InChIKey of (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The InChIKey is WJVFNYGIAUKPBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-12-15-10-14(30-2)8-9-16(15)24-20(22-12)27-21-25-17(11-18(28)26-21)19(29)23-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,23,29)(H2,22,24,25,26,27,28)/t17-/m1/s1.

What are the key properties of (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 1146691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).