Cas no 861583-66-6 (4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid)

4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid is a pyrimidine derivative with a carboxyl functional group, offering versatility in organic synthesis and pharmaceutical applications. Its structural features, including the methyl-substituted phenyl and pyrimidine rings, enhance stability and reactivity, making it a valuable intermediate in heterocyclic chemistry. The carboxylic acid moiety allows for further functionalization, enabling the synthesis of esters, amides, or other derivatives. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules, owing to its potential as a scaffold for drug discovery. High purity and consistent quality ensure reliable performance in research and industrial processes.
4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid structure
861583-66-6 structure
Product Name:4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid
CAS No:861583-66-6
MF:C13H12N2O2
MW:228.246582984924
MDL:MFCD12027053
CID:1074438
PubChem ID:25219461
Update Time:2025-11-02

4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-2-(p-tolyl)pyrimidine-5-carboxylic acid
    • 4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
    • 4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic acid(SALTDATA: FREE)
    • DTXSID70649243
    • 861583-66-6
    • MFCD12027053
    • AKOS002392057
    • 4-Methyl-2-p-tolyl-pyrimidine-5-carboxylic acid
    • LS-02013
    • SB59890
    • BB 0237688
    • STK500936
    • ALBB-005383
    • 4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid
    • MDL: MFCD12027053
    • Inchi: 1S/C13H12N2O2/c1-8-3-5-10(6-4-8)12-14-7-11(13(16)17)9(2)15-12/h3-7H,1-2H3,(H,16,17)
    • InChI Key: LLIUAPBWEACFNI-UHFFFAOYSA-N
    • SMILES: OC(C1C=NC(C2C=CC(C)=CC=2)=NC=1C)=O

Computed Properties

  • Exact Mass: 228.089877630g/mol
  • Monoisotopic Mass: 228.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 275
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 320.3±42.0 °C at 760 mmHg
  • Flash Point: 147.5±27.9 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid Security Information

4-Methyl-2-(4-methylphenyl)pyrimidine-5-carboxylic Acid Pricemore >>

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