Basic information
- Standard SMILES
COc1cc(OC)nc(CC#N)n1- InChIKey
HEZNMWWWQSUIIS-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
Names & identifiers
- Preferred name
- 2-(4,6-Dimethoxypyrimidine-2-yl)acetonitrile
- IUPAC
- 2-(4,6-dimethoxypyrimidin-2-yl)acetonitrile
Names & synonyms
2-(4,6-dimethoxypyrimidin-2-yl)acetonitrile2-(4,6-dimethoxypyrimidine-2-yl)acetonitrileSCHEMBL14602452-cyanomethyl-4,6-dimethoxypyrimidineAKOS0251494092--Cyanomethyl-4,6-dimethoxypyrimidine128276-52-8
Database identifiers
- PubChem CID
- 14580674
- Nikkaji
- J3.064.371B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Related reactions
10 records
Compound notes
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