Basic information
- Standard SMILES
Cc1cc(CCc2ccccc2)ncn1- InChIKey
HTGNKSPQSOVMEM-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 4-Methyl-6-phenethylpyrimidine
- IUPAC
- 4-methyl-6-(2-phenylethyl)pyrimidine
Names & synonyms
SCHEMBL7529394-methyl-6-phenethylpyrimidineHTGNKSPQSOVMEM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 17830655
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Related reactions
2 records
Compound notes
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