5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,methyl ester
Basic information
- CAS
112002-55-8- Standard SMILES
COC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC(F)F- InChIKey
YZBMVRDDQRKSKO-UHFFFAOYSA-N- Molecular formula
- C14H14F2N2O4
- Average molar mass
- 312.27 g/mol
- Monoisotopic mass
- 312.09216326
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,methyl ester
- IUPAC
- methyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
BRN 5607613112002-55-85-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,methyl esterRefChem:304836DTXSID10920644AKOS001044684AKOS016871757AE-641/14179139Z47751594Methyl 6-[2-(difluoromethoxy)phenyl]-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylatemethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Database identifiers
- CAS
112002-55-8- PubChem CID
- 3086793
- DTXSID
DTXSID10920644
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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