Basic information
- CAS
77204-21-8- Standard SMILES
Cc1cc(CC#N)nc(C(C)C)n1- InChIKey
FETVMZZIWBMLEG-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 2-(2-Isopropyl-6-methylpyrimidin-4-yl)acetonitrile
- IUPAC
- 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)acetonitrile
- English name
- 4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)-(9CI)
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23
Names & synonyms
77204-21-82-(2-Isopropyl-6-methylpyrimidin-4-yl)acetonitrileAKOS0125061612-isopropyl-6-methylpyrimidine-4-acetonitrile4-Pyrimidineacetonitrile, 6-methyl-2-(1-methylethyl)-4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)-(9CI)
Database identifiers
- CAS
77204-21-8- PubChem CID
- 12682965
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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