Basic information
- Standard SMILES
Cc1ccc(CNC(=O)c2nc(-c3c(F)cccc3F)n(C)c(=O)c2O)cc1C- InChIKey
XWMIWMNPXHIBIM-UHFFFAOYSA-N- Molecular formula
- C21H19F2N3O3
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- N-(3,4-dimethylbenzyl)-2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
- IUPAC
- 2-(2,6-difluorophenyl)-N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
Names & synonyms
SCHEMBL6017737XWMIWMNPXHIBIM-UHFFFAOYSA-NN-(3,4-dimethylbenzyl)-2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Database identifiers
- PubChem CID
- 54705246
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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