Basic information
- Standard SMILES
Nc1ncc(-c2cn(-c3nc(-c4ccc(Cl)cc4)cc(C4CC4)n3)cn2)cn1- InChIKey
RYYCHTYXJOSMPU-UHFFFAOYSA-N- Molecular formula
- C20H16ClN7
- Average molar mass
- 389.8 g/mol
- Monoisotopic mass
- 389.1155712
Names & identifiers
- Preferred name
- 5-{1-[4-(4-Chloro-phenyl)-6-cyclopropyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-pyrimidin-2-ylamine
- IUPAC
- 5-[1-[4-(4-chlorophenyl)-6-cyclopropylpyrimidin-2-yl]imidazol-4-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL3556430RYYCHTYXJOSMPU-UHFFFAOYSA-N5-{1-[4-(4-Chloro-phenyl)-6-cyclopropyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-pyrimidin-2-ylamine
Database identifiers
- PubChem CID
- 60209367
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
3 records
Compound notes
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