3-AC-6-ME-2-Oxo-4-P-tolyl-1,2,3,4-4H-pyrimidine-5-carboxylic acid methyl ester
Basic information
- CAS
324069-18-3- Standard SMILES
COC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(C)cc1- InChIKey
WQSKZUWNHFRRTP-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- 3-AC-6-ME-2-Oxo-4-P-tolyl-1,2,3,4-4H-pyrimidine-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-acetyl-6-methyl-4-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
AKOS0036209523-AC-6-ME-2-OXO-4-P-TOLYL-1,2,3,4-4H-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
Database identifiers
- CAS
324069-18-3- PubChem CID
- 4640872
- EC Number
- 165-414-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
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