Basic information
- Standard SMILES
CC(C)CCOc1cc(Cl)nc(-c2ccccc2)n1- InChIKey
RQSBIIUNEOFPEO-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O
- Average molar mass
- 276.76 g/mol
- Monoisotopic mass
- 276.1029409
Names & identifiers
- Preferred name
- 4-Chloro-6-(3-methylbut-1-oxy)-2-phenylpyrimidine
- IUPAC
- 4-chloro-6-(3-methylbutoxy)-2-phenylpyrimidine
Names & synonyms
SCHEMBL8382504RQSBIIUNEOFPEO-UHFFFAOYSA-N4-chloro-6-(3-methylbut-1-oxy)-2-phenylpyrimidine6-chloro-4-(3-methylbut-1-oxy)-2-phenylpyrimidine
Database identifiers
- PubChem CID
- 19006799
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Related reactions
8 records
Compound notes
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