Basic information
- Standard SMILES
C=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc(C#N)cc1)c1cncnc1- InChIKey
YLRIHULTOJRZAU-UHFFFAOYSA-N- Molecular formula
- C19H13N5O2
- Average molar mass
- 343.3 g/mol
Names & identifiers
- Preferred name
- 5-[N-(4-Cyanophenyl)-N-[1-(4-nitrophenyl)ethenyl]amino]pyrimidine
- IUPAC
- 4-[1-(4-nitrophenyl)ethenyl-pyrimidin-5-ylamino]benzonitrile
Names & synonyms
SCHEMBL8328937YLRIHULTOJRZAU-UHFFFAOYSA-N5-[N-(4-Cyanophenyl)-N-[1-(4-nitrophenyl)ethenyl]amino]pyrimidine
Database identifiers
- PubChem CID
- 19434367
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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