2-Amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidinium iodide
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Basic information
- Standard SMILES
CC(=O)c1cc(Nc2cc(C)[n+](C)c(N)n2)cc(C(C)=O)c1.[I-]- InChIKey
KXJZIKIVRCAALB-UHFFFAOYSA-N- Molecular formula
- C16H19IN4O2
- Average molar mass
- 426.25 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidinium iodide
- IUPAC
- 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide
Names & synonyms
2-Amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidinium iodideRefChem:909538SCHEMBL3498356KXJZIKIVRCAALB-UHFFFAOYSA-NNSC-7423042-amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidiniumiodideEthanone,1'-[5-[(2-amino-1,6-dimethyl-4(1H)-pyrimidinylidene)amino]-1,3-phenylene]bis, monohydroiodide, dihydrate
Database identifiers
- PubChem CID
- 9845352
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
11 records
Compound notes
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