Basic information
- Standard SMILES
CCO/C=C\c1cnc(Cl)nc1NC12CC(C1)C2- InChIKey
PFSUVDJKAJAVNU-ARJAWSKDSA-N- Molecular formula
- C13H16ClN3O
- Average molar mass
- 265.74 g/mol
Names & identifiers
- Preferred name
- Bicyclo[1.1.1]pent-1-yl-[2-chloro-5-((Z)-2-ethoxy-vinyl)-pyrimidin-4-yl]-amine
- IUPAC
- N-(1-bicyclo[1.1.1]pentanyl)-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL12985619PFSUVDJKAJAVNU-ARJAWSKDSA-NBicyclo[1.1.1]pent-1-yl-[2-chloro-5-((Z)-2-ethoxy-vinyl)-pyrimidin-4-yl]-amine
Database identifiers
- PubChem CID
- 86672129
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
1 records
Compound notes
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