(2,4-Diethoxypyrimidin-5-yl)(phenyl)methanone
Basic information
- CAS
92580-28-4- Standard SMILES
CCOc1ncc(C(=O)c2ccccc2)c(OCC)n1- InChIKey
VVGRXDOIQNXEQK-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Names & identifiers
- Preferred name
- (2,4-Diethoxypyrimidin-5-yl)(phenyl)methanone
- IUPAC
- (2,4-diethoxypyrimidin-5-yl)-phenylmethanone
Names & synonyms
(2,4-diethoxypyrimidin-5-yl)(phenyl)methanone92580-28-4NSC76377DTXSID80291550NSC-76377
Database identifiers
- CAS
92580-28-4- PubChem CID
- 253443
- DTXSID
DTXSID80291550
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
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Compound notes
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