(4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C21H18Cl2N6O2 — CID 1344549

About (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 1344549) has the molecular formula C21H18Cl2N6O2 and a molecular weight of 457.32 g/mol. Its IUPAC name is (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
• PubChem CID: 1344549
• Molecular Formula: C21H18Cl2N6O2
• Molecular Weight: 457.32 g/mol
• Exact Mass: 456.09
• IUPAC Name: (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
• SMILES: Cc1ccc2c(C)nc(NC3=N[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc2c1
• InChI: InChI=1S/C21H18Cl2N6O2/c1-10-3-5-13-11(2)24-20(26-16(13)7-10)29-21-27-17(9-18(30)28-21)19(31)25-12-4-6-14(22)15(23)8-12/h3-8,17H,9H2,1-2H3,(H,25,31)(H2,24,26,27,28,29,30)/t17-/m1/s1
• InChIKey: QIBUBIKEVBNENC-QGZVFWFLSA-N
• XLogP: 3.85
• TPSA: 108.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.32
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The IUPAC name of (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 1344549) is (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The canonical SMILES for (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc2c(C)nc(NC3=N[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc2c1.

What is the InChIKey of (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The InChIKey is QIBUBIKEVBNENC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18Cl2N6O2/c1-10-3-5-13-11(2)24-20(26-16(13)7-10)29-21-27-17(9-18(30)28-21)19(31)25-12-4-6-14(22)15(23)8-12/h3-8,17H,9H2,1-2H3,(H,25,31)(H2,24,26,27,28,29,30)/t17-/m1/s1.

What are the key properties of (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

(4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 457.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 1344549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).