Basic information
- Standard SMILES
CC(C)Nc1nc(Cl)nc(N2CC3CCC(C2)O3)c1[N+](=O)[O-]- InChIKey
OQSYUJGBBQZKRV-UHFFFAOYSA-N- Molecular formula
- C13H18ClN5O3
- Average molar mass
- 327.77 g/mol
Names & identifiers
- Preferred name
- 6-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-chloro-N-isopropyl-5-nitropyrimidin-4-amine
- IUPAC
- 2-chloro-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propan-2-ylpyrimidin-4-amine
Names & synonyms
SCHEMBL628466OQSYUJGBBQZKRV-UHFFFAOYSA-N6-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-chloro-N-isopropyl-5-nitropyrimidin-4-amine
Database identifiers
- PubChem CID
- 86665897
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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