Basic information
- Standard SMILES
CCC(=O)N1CC[C@H](Oc2ncnc3c2CNCC3)C1- InChIKey
QHEMMUAYNBVHCV-JTQLQIEISA-N- Molecular formula
- C14H20N4O2
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.15862589
Names & identifiers
- Preferred name
- 1-[(S)-3-(5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy)-pyrrolidin-1-yl]-propan-1-one
- IUPAC
- 1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)pyrrolidin-1-yl]propan-1-one
Names & synonyms
SCHEMBL322943QHEMMUAYNBVHCV-JTQLQIEISA-N1-[(S)-3-(5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy)-pyrrolidin-1-yl]-propan-1-one
Database identifiers
- PubChem CID
- 57495348
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
Loading…