4-Benzylpyrimidine
Basic information
- CAS
64660-82-8- Standard SMILES
c1ccc(Cc2ccncn2)cc1- InChIKey
BXACYQRHBZMYQH-UHFFFAOYSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439833
Names & identifiers
- Preferred name
- 4-Benzylpyrimidine
- IUPAC
- 4-benzylpyrimidine
- English name
- Pyrimidine, 4-(phenylmethyl)- (9CI)
- Molecular formula
- C11H10N2
- Molecular weight
- 170.21
Names & synonyms
4-BenzylpyrimidinePyrimidine, 4-(phenylmethyl)-64660-82-86-benzylpyrimidineSCHEMBL533421SCHEMBL1240393SCHEMBL11109021DTXSID30214936BXACYQRHBZMYQH-UHFFFAOYSA-NAKOS006371973Pyrimidine, 4-(phenylmethyl)- (9CI)
Database identifiers
- CAS
64660-82-8- PubChem CID
- 598148
- DTXSID
DTXSID30214936- Nikkaji
- J372.351H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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