Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate
Basic information
- CAS
1685-06-9- Standard SMILES
CCOC(=O)C(=O)Cc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1- InChIKey
LKNAKKFQYUOAST-UHFFFAOYSA-N- Molecular formula
- C23H22N2O5
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.15287181
Names & identifiers
- Preferred name
- Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate
- IUPAC
- ethyl 3-[4,6-bis(phenylmethoxy)pyrimidin-2-yl]-2-oxopropanoate
Names & synonyms
1685-06-9MLS002694772ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoateEthyl 3-(4,6-bis(benzyloxy)pyrimidin-2-yl)-2-oxopropanoateHMS3085D19NSC87656CHEMBL1703550DTXSID60293178NSC-87656SMR001560691
Database identifiers
- CAS
1685-06-9- PubChem CID
- 258574
- DTXSID
DTXSID60293178- ChEMBL
CHEMBL1703550
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 502
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Compound notes
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