Basic information
- CAS
59484-91-2- Standard SMILES
Cc1ccn2c(=O)c(CCBr)c(C)nc2c1- InChIKey
CTSFJHXUCIPURL-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O
- Average molar mass
- 281.15 g/mol
- Monoisotopic mass
- 280.02113
Names & identifiers
- Preferred name
- 3-(2-Bromoethyl)-2,8-dimethyl-4h-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 3-(2-bromoethyl)-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
3-(2-bromoethyl)-2,8-dimethyl-4h-pyrido[1,2-a]pyrimidin-4-one59484-91-2NSC137666DTXSID50300587NSC-137666
Database identifiers
- CAS
59484-91-2- PubChem CID
- 283274
- DTXSID
DTXSID50300587
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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