Basic information
- Standard SMILES
CC(=O)c1cc(Nc2cc(C)[n+](C)c(N)n2)cc(C(C)=O)c1- InChIKey
ZXIPHGZDAXPXBX-UHFFFAOYSA-O- Molecular formula
- C16H19N4O2+
- Average molar mass
- 299.35 g/mol
- Monoisotopic mass
- 299.15080086
Names & identifiers
- Preferred name
- 1-[3-Acetyl-5-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone
- IUPAC
- 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone
Names & synonyms
CHEMBL321759SCHEMBL3499609
Database identifiers
- PubChem CID
- 497236
- ChEMBL
CHEMBL321759- Nikkaji
- J2.033.654D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 406
Related reactions
2 records
Compound notes
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