Basic information
- Standard SMILES
COc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1- InChIKey
OHUNPVCHRGBDHH-AWEZNQCLSA-N- Molecular formula
- C14H19N5O2
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.15387487
Names & identifiers
- Preferred name
- (R)-N-(6-methoxypyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
- IUPAC
- (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Names & synonyms
CHEMBL4079623SCHEMBL558275OHUNPVCHRGBDHH-AWEZNQCLSA-NBDBM50232601(R)-N-(6-methoxypyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
Database identifiers
- PubChem CID
- 52920232
- ChEMBL
CHEMBL4079623
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Related reactions
4 records
Compound notes
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