Basic information
- Standard SMILES
CC1(C)C[C@H](Nc2nc(Cl)ncc2C#N)C[C@@H]2CCCN21.Cl- InChIKey
OTVNNYINLBBDIZ-LYCTWNKOSA-N- Molecular formula
- C15H21Cl2N5
- Average molar mass
- 342.3 g/mol
Names & identifiers
- Preferred name
- 4-((7R,8aS)-octahydro-5,5-dimethylindolizin-7-ylamino)-2-chloropyrimidine-5-carbonitrile hydrochloride
- IUPAC
- 4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-2-chloropyrimidine-5-carbonitrile;hydrochloride
Names & synonyms
OTVNNYINLBBDIZ-LYCTWNKOSA-N4-((7R,8aS)-octahydro-5,5-dimethylindolizin-7-ylamino)-2-chloropyrimidine-5-carbonitrile hydrochloride
Database identifiers
- PubChem CID
- 86704491
Properties
Computed structural properties
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Related reactions
4 records
Compound notes
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