Basic information
- Standard SMILES
c1cc(Nc2nccc(-c3ccncc3)n2)cc(-n2ccnc2)c1- InChIKey
QIBFFEBCLKXSEY-UHFFFAOYSA-N- Molecular formula
- C18H14N6
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.12799447
Names & identifiers
- Preferred name
- N-[3-(1H-imdazol-1-yl)phenyl]-4-(4-pyridinyl)-2-pyrimidinamine
- IUPAC
- N-(3-imidazol-1-ylphenyl)-4-pyridin-4-ylpyrimidin-2-amine
Names & synonyms
CHEMBL314545SCHEMBL7463426QIBFFEBCLKXSEY-UHFFFAOYSA-NN-[3-(1H-imdazol-1-yl)phenyl]-4-(4-pyridinyl)-2-pyrimidinamine
Database identifiers
- PubChem CID
- 14347124
- ChEMBL
CHEMBL314545
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
Loading…