Basic information
- CAS
70733-12-9- Standard SMILES
CCOC(=O)c1cnc(-c2ccccc2)nc1C- InChIKey
LGQZZURGIURMEL-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- Ethyl 4-methyl-2-phenylpyrimidine-5-carboxylate
- IUPAC
- ethyl 4-methyl-2-phenylpyrimidine-5-carboxylate
- English name
- ethyl 4-methyl-2-phenylpyrimidine-5-carboxylate
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
ethyl 4-methyl-2-phenylpyrimidine-5-carboxylate70733-12-9NSC45816SCHEMBL3572484SCHEMBL8626116DTXSID402864475-Pyrimidinecarboxylicacid, 4-methyl-2-phenyl-, ethyl esterNSC-45816AKOS038555721DS-0155445-Pyrimidinecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester
Database identifiers
- CAS
70733-12-9- PubChem CID
- 239983
- DTXSID
DTXSID40286447- Nikkaji
- J284.721C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 99 · 99-100 °C
- Boiling point
- 303.3 · 303.3±35.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- pka
- -0.1 · -0.10±0.29(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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