Basic information
- Standard SMILES
Cn1c(NCc2ccccc2)ncc(Br)c1=O- InChIKey
BYESKLLDSGWSDW-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3O
- Average molar mass
- 294.15 g/mol
Names & identifiers
- Preferred name
- 2-(benzylamino)-5-bromo-3-methylpyrimidin-4(3H)-one
- IUPAC
- 2-(benzylamino)-5-bromo-3-methylpyrimidin-4-one
Names & synonyms
SCHEMBL2282701BYESKLLDSGWSDW-UHFFFAOYSA-N2-(benzylamino)-5-bromo-3-methylpyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 67347337
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 359
Related reactions
4 records
Compound notes
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