5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,ethyl ester
Basic information
- CAS
112024-97-2- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC(F)F- InChIKey
RJEWIVNHUVUIRA-UHFFFAOYSA-N- Molecular formula
- C15H16F2N2O4
- Average molar mass
- 326.29 g/mol
- Monoisotopic mass
- 326.10781332
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,ethyl ester
- IUPAC
- ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
BRN 5613602112024-97-25-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,ethyl esterRefChem:304835ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateDTXSID00920653AKOS000540662AKOS016378548ST50454636Z47751396Ethyl 6-[2-(difluoromethoxy)phenyl]-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
Database identifiers
- CAS
112024-97-2- PubChem CID
- 3086795
- DTXSID
DTXSID00920653
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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