Basic information
- Standard SMILES
CC(=O)c1cccc(Nc2cc(C)[n+](C)c(N)n2)c1.[I-]- InChIKey
GTJUIFGGKJZHAP-UHFFFAOYSA-N- Molecular formula
- C14H17IN4O
- Average molar mass
- 384.22 g/mol
Names & identifiers
- Preferred name
- 4-(3-Acetylphenyl)amino-2-amino-1,6-dimethylpyrimidinium iodide
- IUPAC
- 1-[3-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide
Names & synonyms
SCHEMBL3501443GTJUIFGGKJZHAP-UHFFFAOYSA-N4-(3-acetylphenyl)amino-2-amino-1,6-dimethylpyrimidinium iodide
Database identifiers
- PubChem CID
- 12093259
Properties
Computed structural properties
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
8 records
Compound notes
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