Basic information
- Standard SMILES
Cc1cccc2nc(C(C)n3cnc4c(N)ncnc43)c(Br)c(=O)n12- InChIKey
CWXBUPCFEZXZIS-UHFFFAOYSA-N- Molecular formula
- C16H14BrN7O
- Average molar mass
- 400.23 g/mol
- Monoisotopic mass
- 399.04432
Names & identifiers
- Preferred name
- 2-[1-(6-amino-9H-purin-9-yl)ethyl]-3-bromo-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 2-[1-(6-aminopurin-9-yl)ethyl]-3-bromo-6-methylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
SCHEMBL978116CWXBUPCFEZXZIS-UHFFFAOYSA-N2-[1-(6-amino-9H-purin-9-yl)ethyl]-3-bromo-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- PubChem CID
- 66864772
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 728
Related reactions
4 records
Compound notes
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