4-Ethoxy-5-fluoro-1-methylpyrimidin-2(1h)-one
Basic information
- CAS
154-91-6- Standard SMILES
CCOc1nc(=O)n(C)cc1F- InChIKey
NFSQFJSFJJJYNE-UHFFFAOYSA-N- Molecular formula
- C7H9FN2O2
- Average molar mass
- 172.16 g/mol
- Monoisotopic mass
- 172.0648057
Names & identifiers
- Preferred name
- 4-Ethoxy-5-fluoro-1-methylpyrimidin-2(1h)-one
- IUPAC
- 4-ethoxy-5-fluoro-1-methylpyrimidin-2-one
Names & synonyms
154-91-64-ethoxy-5-fluoro-1-methylpyrimidin-2(1h)-oneNSC80845DTXSID90292215CCG-40392NSC-80845
Database identifiers
- CAS
154-91-6- PubChem CID
- 255392
- DTXSID
DTXSID90292215
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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