2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
Basic information
- CAS
136429-18-0- Standard SMILES
COc1cc(OC)nc(Oc2cccnc2C=O)n1- InChIKey
PGDFWRINOJTSDB-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495583
Names & identifiers
- Preferred name
- 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
- IUPAC
- 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbaldehyde
Names & synonyms
136429-18-02-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-SCHEMBL9383414DTXSID80403030PGDFWRINOJTSDB-UHFFFAOYSA-N3-(4,6-dimethoxy-2-pyrimidinyloxy)-2-formylpyridine4,6-dimethoxy-2-(2-formyl-3-pyridyloxy) pyrimidine3-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)OXY]PYRIDINE-2-CARBALDEHYDE
Database identifiers
- CAS
136429-18-0- PubChem CID
- 4415545
- DTXSID
DTXSID80403030
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
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Related reactions
2 records
Compound notes
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