Basic information
- Standard SMILES
CC1(C)C[C@H](Nc2nc(Cl)ncc2F)C[C@@H]2CCCN21.Cl- InChIKey
QZUDIAARFZWNRL-UXQCFNEQSA-N- Molecular formula
- C14H21Cl2FN4
- Average molar mass
- 335.2 g/mol
Names & identifiers
- Preferred name
- (7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-octahydro-5,5-dimethylindolizin-7-amine hydrochloride
- IUPAC
- (7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine;hydrochloride
Names & synonyms
SCHEMBL15320918QZUDIAARFZWNRL-UXQCFNEQSA-N(7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-octahydro-5,5-dimethylindolizin-7-amine hydrochloride
Database identifiers
- PubChem CID
- 86704489
Properties
Computed structural properties
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
11 records
Compound notes
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