4,5-Dimethoxy-2-phenylpyrimidine
Basic information
- CAS
477857-51-5- Standard SMILES
COc1cnc(-c2ccccc2)nc1OC- InChIKey
WEZMXXMSIFOFDN-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-phenylpyrimidine
- IUPAC
- 4,5-dimethoxy-2-phenylpyrimidine
Names & synonyms
4,5-dimethoxy-2-phenylpyrimidine477857-51-5MFCD02102305MLS000721214CHEMBL1313166SCHEMBL15614430DTXSID001326380HMS2668A034,5-dimethoxy-2-phenyl-pyrimidineAKOS00507894211P-309SSMR000335637
Database identifiers
- CAS
477857-51-5- PubChem CID
- 2767862
- DTXSID
DTXSID001326380- ChEMBL
CHEMBL1313166
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
Solubility19.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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