Ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Basic information
- CAS
112080-29-2- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1C(F)(F)F- InChIKey
GHZGHHLJVPVHAJ-UHFFFAOYSA-N- Molecular formula
- C15H15F3N2O3
- Average molar mass
- 328.29 g/mol
- Monoisotopic mass
- 328.10347683
Names & identifiers
- Preferred name
- Ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- IUPAC
- ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C15H15F3N2O3
- Molecular weight
- 328.29
Names & synonyms
112080-29-2ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateethyl 6-methyl-2-oxo-4-(2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylateNSC717157ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylateCCG-25995MFCD00393836STK369895AKOS000518596AKOS016038017NSC-717157ST000457
Show more names
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-, ethyl ester
ZINC000000027691ZINC000000027692AE-842/34020059SR-01000530793SR-01000530793-1Z47751442CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2C(F)(F)F)Cethyl 4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3,6-trihydropyrimidine-5- carboxylate
Database identifiers
- CAS
112080-29-2- PubChem CID
- 402867
- Nikkaji
- J1.196.703E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 517
Related reactions
1 records
Compound notes
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