Ethyl 2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1cnc(C(C)(C)C)nc1-c1cccc(F)c1- InChIKey
SYDFCIREMRCPIA-UHFFFAOYSA-N- Molecular formula
- C17H19FN2O2
- Average molar mass
- 302.34 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL5057646SYDFCIREMRCPIA-UHFFFAOYSA-NDB-101054ethyl 2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylate1012879-92-3
Database identifiers
- PubChem CID
- 69296296
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
1 records
Compound notes
Loading…