5-bromo-2-ethoxypyrimidin-4(1H)-one
Basic information
- CAS
222737-71-5- Standard SMILES
CCOc1ncc(Br)c(=O)[nH]1- InChIKey
NOKBGOCOBGTITR-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2O2
- Average molar mass
- 219.04 g/mol
Names & identifiers
- Preferred name
- 5-bromo-2-ethoxypyrimidin-4(1H)-one
- IUPAC
- 5-bromo-2-ethoxy-1H-pyrimidin-6-one
- English name
- 4(1H)-Pyrimidinone,5-bromo-2-ethoxy-(9CI)
- Molecular formula
- C6H7BrN2O2
- Molecular weight
- 219.04
Names & synonyms
222737-71-55-bromo-2-ethoxypyrimidin-4(1H)-oneDB-2833784(1H)-PYRIMIDINONE, 5-BROMO-2-ETHOXY-4(3H)-Pyrimidinone, 5-bromo-2-ethoxy-4(1H)-Pyrimidinone,5-bromo-2-ethoxy-(9CI)
Database identifiers
- CAS
222737-71-5- Nikkaji
- J1.129.774I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 235
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Compound notes
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