Basic information
- CAS
82525-20-0- Standard SMILES
COc1ccc(-c2cnc(C)nc2)cc1- InChIKey
UADCLWIVJAVQAK-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-2-methylpyrimidine
- IUPAC
- 5-(4-methoxyphenyl)-2-methylpyrimidine
- English name
- 2-Methyl-5-(p-methoxyphenyl)pyrimidine
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.24
Names & synonyms
5-(4-Methoxyphenyl)-2-methylpyrimidine82525-20-0DTXSID80513608RefChem:300005DTXCID904644152-Methyl-5-(p-methoxyphenyl)pyrimidineSCHEMBL14037485SB58603Pyrimidine, 5-(4-methoxyphenyl)-2-methyl-
Database identifiers
- CAS
82525-20-0- PubChem CID
- 12946643
- DTXSID
DTXSID80513608
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 332.2 · 332.2±35.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.22(Predicted)
Chemistry & industry
Suppliers1 total
南京诺利斯医药科技有限公司13901585132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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