Basic information
- Standard SMILES
c1cc(-c2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncn2)ccn1- InChIKey
OEBYXCLQXOTPJE-SFHVURJKSA-N- Molecular formula
- C18H20N6O
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- (R)-N-(6-(pyridin-4-yl)pyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
- IUPAC
- (3R)-N-(6-pyridin-4-ylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Names & synonyms
SCHEMBL558071OEBYXCLQXOTPJE-SFHVURJKSA-N(R)-N-(6-(pyridin-4-yl)pyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
Database identifiers
- PubChem CID
- 58087971
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Related reactions
4 records
Compound notes
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