Basic information
- Standard SMILES
CC(C)n1c(-c2ccnc(Nc3ccccc3)n2)cnc1C=NO- InChIKey
VHAUUXXBLXMSPS-UHFFFAOYSA-N- Molecular formula
- C17H18N6O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.15420922
Names & identifiers
- Preferred name
- 2-Anilino-4-[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine
- IUPAC
- N-[[5-(2-anilinopyrimidin-4-yl)-1-propan-2-ylimidazol-2-yl]methylidene]hydroxylamine
Names & synonyms
SCHEMBL4864773VHAUUXXBLXMSPS-UHFFFAOYSA-N2-Anilino-4-[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine2-Anilino-4[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine
Database identifiers
- PubChem CID
- 136374444
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Related reactions
2 records
Compound notes
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