Basic information
- CAS
887408-95-9- Standard SMILES
CCOC(=O)c1cnc(OCC)nc1-c1ccccc1C- InChIKey
AALWUJQPUCIJDO-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- Ethyl 2-ethoxy-4-(2-methylphenyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-ethoxy-4-(2-methylphenyl)pyrimidine-5-carboxylate
Names & synonyms
887408-95-9ethyl 2-ethoxy-4-(2-methylphenyl)pyrimidine-5-carboxylateDTXSID801197343Ethyl 2-ethoxy-4-(2-methylphenyl)-5-pyrimidinecarboxylate
Database identifiers
- CAS
887408-95-9- PubChem CID
- 22831741
- DTXSID
DTXSID801197343
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…