2-Amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidinium iodide

HCID 9845352

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 properties

Topological polar surface area
89 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

11 records

Linked notes

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