Basic information
- Standard SMILES
Cc1ccc(-c2cnc(OC3CN4CCC3CC4)nc2)cc1N- InChIKey
JBCUMWVZBCYUBR-UHFFFAOYSA-N- Molecular formula
- C18H22N4O
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.17936134
Names & identifiers
- Preferred name
- 5-[2-(1-Azabicyclo[2.2.2]oct-3-yloxy)pyrimidin-5-yl]-2-methylaniline
- IUPAC
- 5-[2-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-2-methylaniline
Names & synonyms
SCHEMBL5416196JBCUMWVZBCYUBR-UHFFFAOYSA-N5-[2-(1-azabicyclo[2.2.2]oct-3-yloxy)pyrimidin-5-yl]-2-methylaniline
Database identifiers
- PubChem CID
- 11255356
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
Related reactions
3 records
Compound notes
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