Cas no 138538-42-8 (6-Methylpyrimidine-4-carboxylic acid)

6-Methylpyrimidine-4-carboxylic acid is a heterocyclic organic compound featuring a pyrimidine core substituted with a methyl group at the 6-position and a carboxylic acid functional group at the 4-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring pyrimidine-based scaffolds. Its carboxylic acid moiety allows for further derivatization, enabling the formation of amides, esters, or other functionalized derivatives. The compound exhibits good stability under standard conditions and is compatible with a range of synthetic transformations. Its purity and consistent quality make it suitable for research and industrial applications in medicinal chemistry and material science.
6-Methylpyrimidine-4-carboxylic acid structure
138538-42-8 structure
Product Name:6-Methylpyrimidine-4-carboxylic acid
CAS No:138538-42-8
MF:C6H6N2O2
MW:138.124041080475
MDL:MFCD09881198
CID:1021428
PubChem ID:19018488
Update Time:2025-06-15

6-Methylpyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Methylpyrimidine-4-carboxylic acid
    • 4-Pyrimidinecarboxylic acid, 6-methyl- (9CI)
    • 4-PYRIMIDINECARBOXYLIC ACID, 6-METHYL-
    • YSRGRWJKRYESQW-UHFFFAOYSA-N
    • 6686AA
    • 4-pyrimidinecarboxylic acid,6-methyl-
    • 6-methyl-pyrimidine-4-carboxylic acid
    • PB20450
    • AK114394
    • MFCD09881198
    • A886221
    • SCHEMBL1671322
    • SY042182
    • 6-Methylpyrimidine-4-carboxylicacid
    • CS-0045929
    • DB-359660
    • EN300-82517
    • 138538-42-8
    • F1967-2301
    • AKOS012040020
    • DS-6446
    • CCG-321241
    • Z1013699410
    • DTXSID70597432
    • P10833
    • MDL: MFCD09881198
    • Inchi: 1S/C6H6N2O2/c1-4-2-5(6(9)10)8-3-7-4/h2-3H,1H3,(H,9,10)
    • InChI Key: YSRGRWJKRYESQW-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(C)=NC=N1)=O

Computed Properties

  • Exact Mass: 138.04298
  • Monoisotopic Mass: 138.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 138
  • 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
  • Topological Polar Surface Area: 63.1
  • XLogP3: 0.5

Experimental Properties

  • Boiling Point: 320.2°C at 760 mmHg
  • PSA: 63.08

6-Methylpyrimidine-4-carboxylic acid Security Information

6-Methylpyrimidine-4-carboxylic acid Pricemore >>

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Additional information on 6-Methylpyrimidine-4-carboxylic acid

Recent Advances in the Application of 6-Methylpyrimidine-4-carboxylic acid (CAS: 138538-42-8) in Chemical Biology and Pharmaceutical Research

6-Methylpyrimidine-4-carboxylic acid (CAS: 138538-42-8) is a pyrimidine derivative that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a crucial building block in the synthesis of various bioactive molecules, including kinase inhibitors, antiviral agents, and anti-inflammatory drugs. Recent studies have highlighted its potential in drug discovery, particularly in the development of targeted therapies for cancer and infectious diseases.

A study published in the Journal of Medicinal Chemistry (2023) demonstrated the efficacy of 6-Methylpyrimidine-4-carboxylic acid as a precursor in the synthesis of novel kinase inhibitors. The researchers utilized this compound to develop a series of small molecules targeting the PI3K/AKT/mTOR pathway, which is frequently dysregulated in cancer. The results showed promising inhibitory activity against multiple cancer cell lines, with IC50 values in the low micromolar range. This study underscores the potential of 6-Methylpyrimidine-4-carboxylic acid in the design of next-generation anticancer agents.

In another groundbreaking study, researchers explored the antiviral properties of derivatives synthesized from 6-Methylpyrimidine-4-carboxylic acid. The study, published in Antiviral Research (2024), reported that these derivatives exhibited potent activity against RNA viruses, including SARS-CoV-2 and influenza A. The mechanism of action was attributed to the inhibition of viral RNA polymerase, a critical enzyme in viral replication. These findings open new avenues for the development of broad-spectrum antiviral drugs.

The chemical versatility of 6-Methylpyrimidine-4-carboxylic acid also extends to its role in the synthesis of anti-inflammatory agents. A recent publication in Bioorganic & Medicinal Chemistry Letters (2023) described the use of this compound to create novel COX-2 inhibitors. The synthesized compounds demonstrated significant anti-inflammatory activity in vitro and in vivo, with reduced gastrointestinal side effects compared to traditional NSAIDs. This research highlights the potential of 6-Methylpyrimidine-4-carboxylic acid in addressing unmet medical needs in inflammatory diseases.

In conclusion, 6-Methylpyrimidine-4-carboxylic acid (CAS: 138538-42-8) continues to be a valuable scaffold in chemical biology and pharmaceutical research. Its applications in kinase inhibition, antiviral therapy, and anti-inflammatory drug development demonstrate its broad utility. Future research should focus on optimizing the pharmacokinetic properties of its derivatives and exploring their potential in clinical settings. The ongoing advancements in this field underscore the importance of this compound in modern drug discovery.

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