4,6-Dimethyl-2-phenylpyrimidine
Basic information
- CAS
14164-34-2- Standard SMILES
Cc1cc(C)nc(-c2ccccc2)n1- InChIKey
TVNUWBFICZWTRU-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2-phenylpyrimidine
- IUPAC
- 4,6-dimethyl-2-phenylpyrimidine
- English name
- Pyrimidine,4,6-dimethyl-2-phenyl-
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
4,6-dimethyl-2-phenylpyrimidine14164-34-2DTXSID20286445RefChem:285920DTXCID80237594pyrimidine, 4,6-dimethyl-2-phenyl-4,6-dimethyl-2-phenyl-pyrimidineNSC45809Pyrimidine,4,6-dimethyl-2-phenyl-SCHEMBL7913550SCHEMBL9957627SCHEMBL9957830
Show more names
SCHEMBL9958727NSC-45809STK012939AKOS003236982HS-6086DS-012382CS-0238285ST51039190
Database identifiers
- CAS
14164-34-2- PubChem CID
- 239976
- DTXSID
DTXSID20286445- Nikkaji
- J245.801B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 163 °C · 163 °C(Press: 17 Torr)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 2.55 · 2.55±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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