2-(Dimethylamino)-4,6-dimethylpyrimidine-5-carbonitrile oxide
Basic information
- CAS
13012-33-4- Standard SMILES
Cc1nc(N(C)C)nc(C)c1C#[N+][O-]- InChIKey
SFYRQISLPALYFC-UHFFFAOYSA-N- Molecular formula
- C9H12N4O
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.10111102
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-4,6-dimethylpyrimidine-5-carbonitrile oxide
- IUPAC
- 2-(dimethylamino)-4,6-dimethylpyrimidine-5-carbonitrile oxide
Names & synonyms
13012-33-4NSC106694DTXSID50926605NSC-106694({[2-(Dimethyliminio)-4,6-dimethylpyrimidin-5(2H)-ylidene]methylidene}amino)oxidanide
Database identifiers
- CAS
13012-33-4- PubChem CID
- 267446
- DTXSID
DTXSID50926605
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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