Basic information
- Standard SMILES
CCc1cnc(N2CCC3(CC2)OCCO3)nc1- InChIKey
GTDWVPIHBAAVJK-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- 8-(5-Ethylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
- IUPAC
- 8-(5-ethylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
Names & synonyms
8-(5-ethylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane1400707-00-7SCHEMBL12491029GTDWVPIHBAAVJK-UHFFFAOYSA-NAKOS040882450DB-1244768-(5-Ethyl-pyrimidin-2-yl)-1,4-dioxa-8-aza-spiro[4.5]decane
Database identifiers
- PubChem CID
- 68290246
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
3 records
Compound notes
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