Ethyl 3-(2,6-diethoxypyrimidin-4-yl)-2-oxopropanoate
Basic information
- CAS
1685-02-5- Standard SMILES
CCOC(=O)C(=O)Cc1cc(OCC)nc(OCC)n1- InChIKey
HWNWOFRGDRPZAT-UHFFFAOYSA-N- Molecular formula
- C13H18N2O5
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.12157168
Names & identifiers
- Preferred name
- Ethyl 3-(2,6-diethoxypyrimidin-4-yl)-2-oxopropanoate
- IUPAC
- ethyl 3-(2,6-diethoxypyrimidin-4-yl)-2-oxopropanoate
Names & synonyms
ethyl 3-(2,6-diethoxypyrimidin-4-yl)-2-oxopropanoate1685-02-5NSC80597DTXSID20292167NSC 80597NSC-80597
Database identifiers
- CAS
1685-02-5- PubChem CID
- 255246
- DTXSID
DTXSID20292167
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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