Basic information
- Standard SMILES
CCOc1nc2ccc(C#CC(C)(O)c3ncccn3)cc2n1-c1ccnc(N)n1- InChIKey
CKBHSOYHKZRHEK-UHFFFAOYSA-N- Molecular formula
- C21H19N7O2
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 4-[1-(2-aminopyrimidin-4-yl)-2-ethoxy-1H-1,3-benzodiazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
- IUPAC
- 4-[3-(2-aminopyrimidin-4-yl)-2-ethoxybenzimidazol-5-yl]-2-pyrimidin-2-ylbut-3-yn-2-ol
Names & synonyms
SCHEMBL11970842CKBHSOYHKZRHEK-UHFFFAOYSA-N4-[1-(2-aminopyrimidin-4-yl)-2-ethoxy-1H-1,3-benzodiazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
Database identifiers
- PubChem CID
- 68181793
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
1 records
Compound notes
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