Basic information
- Standard SMILES
CCOC(=O)COc1cc(Cl)nc(N2CCOCC2)n1- InChIKey
MNIJEAIIZGDDNK-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O4
- Average molar mass
- 301.72 g/mol
- Monoisotopic mass
- 301.0829337
Names & identifiers
- Preferred name
- (6-Chloro-2-morpholin-4-yl-pyrimidin-4-yloxy)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
Names & synonyms
SCHEMBL3103914MNIJEAIIZGDDNK-UHFFFAOYSA-N(6-chloro-2-morpholin-4-yl-pyrimidin-4-yloxy)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 86243996
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
3 records
Compound notes
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