Cas no 98276-75-6 (4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid)

4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid is a pyrimidine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its structure, featuring a methylthio group at the 2-position and a carboxylic acid at the 5-position, makes it a versatile intermediate for constructing heterocyclic compounds. The compound is particularly valuable in the development of active pharmaceutical ingredients (APIs) and crop protection agents due to its reactivity and ability to undergo further functionalization. High purity and consistent quality ensure reliable performance in synthetic applications. Its stability under standard storage conditions and compatibility with common organic solvents further enhance its practicality in industrial and research settings.
4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid structure
98276-75-6 structure
Product Name:4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid
CAS No:98276-75-6
MF:C7H8N2O2S
MW:184.215620040894
MDL:MFCD02187391
CID:803043
PubChem ID:3613356
Update Time:2025-06-09

4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylicacid, 4-methyl-2-(methylthio)-
    • 4-Methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid
    • 4-METHYL-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
    • 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
    • 4-methyl-(2-methylthio)pyrimidine-5-carboxylic acid
    • 4-Methyl-2-methylmercapto-pyrimidin-5-carbonsaeure
    • 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid
    • 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
    • 4-Methyl-2-(methylthio)-5-pyrimidinecarboxylic Acid
    • SMR000168801
    • MLS001144171
    • MLS000331319
    • 5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-
    • AOPKZVQATOWLNA-UHFFFAOYSA-N
    • HMS3344E07
    • HMS2208L19
    • DTXSID30394202
    • AC7476
    • MFCD02187391
    • 5-Pyrimidinecarboxylicacid,4-methyl-2-(methylthio)-
    • ZB0612
    • SCHEMBL4762536
    • SB56188
    • CS-0078675
    • AKOS001921374
    • AMY087
    • 5-Carboxy-4-methyl-2-(methylthio)pyrimidine
    • SY022399
    • 98276-75-6
    • FT-0680305
    • CHEMBL1707399
    • J-515702
    • CCG-164999
    • A902605
    • 4-Methyl-2-(methylsulphanyl)pyrimidine-5-carboxylic acid
    • 3R-1168
    • 4-METHYL-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLICACID
    • DB-080505
    • 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid
    • MDL: MFCD02187391
    • Inchi: 1S/C7H8N2O2S/c1-4-5(6(10)11)3-8-7(9-4)12-2/h3H,1-2H3,(H,10,11)
    • InChI Key: AOPKZVQATOWLNA-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC=C(C(=O)O)C(C)=N1

Computed Properties

  • Exact Mass: 184.03100
  • Monoisotopic Mass: 184.031
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1
  • Topological Polar Surface Area: 88.4

Experimental Properties

  • Density: 1.38
  • Melting Point: 169-171
  • Boiling Point: 379.9°Cat760mmHg
  • Flash Point: 183.5°C
  • Refractive Index: 1.606
  • PSA: 88.38000
  • LogP: 1.20510

4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid Security Information

4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid Suppliers

NewCan Biotech Limited
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(CAS:98276-75-6)4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid
Order Number:NC14423
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:00
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Additional information on 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid

4-Methyl-2-(methylthio)pyrimidine-5-carboxylic Acid (CAS No. 98276-75-6): An Overview

4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid (CAS No. 98276-75-6) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique pyrimidine scaffold and functional groups, holds potential for various applications, including the development of novel therapeutic agents and as a building block in synthetic chemistry.

The chemical structure of 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid is composed of a pyrimidine ring substituted with a methyl group at the 4-position and a methylthio group at the 2-position, with a carboxylic acid moiety at the 5-position. This arrangement of functional groups imparts distinct chemical properties that make it an attractive candidate for drug discovery and development.

Recent studies have highlighted the biological activities of 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound exhibits potent antiviral activity against several RNA viruses, including influenza and respiratory syncytial virus (RSV). The mechanism of action is believed to involve the inhibition of viral replication through interference with key enzymatic processes.

In addition to its antiviral properties, 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid has also been investigated for its potential as an anticancer agent. Studies have demonstrated that this compound can induce apoptosis in various cancer cell lines, particularly those derived from lung and breast cancers. The mechanism behind this activity is thought to involve the modulation of signaling pathways involved in cell proliferation and survival.

The synthetic accessibility of 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid has further enhanced its appeal in pharmaceutical research. Several efficient synthetic routes have been developed to produce this compound, making it readily available for large-scale studies and applications. One notable method involves the condensation of 2-amino-4-methylthiopyrimidine with carbon dioxide under high pressure, followed by hydrolysis to yield the desired carboxylic acid.

The physicochemical properties of 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid, such as its solubility and stability, have been extensively characterized. This information is crucial for optimizing its formulation and delivery in pharmaceutical products. For example, the compound's moderate solubility in water and organic solvents allows for flexible formulation strategies, while its stability under various conditions ensures reliable performance in both laboratory and clinical settings.

In the context of drug discovery, 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid serves as a valuable starting point for structure-activity relationship (SAR) studies. By modifying the substituents on the pyrimidine ring or introducing additional functional groups, researchers can explore a wide range of analogs with enhanced biological activities and improved pharmacokinetic profiles. This approach has led to the identification of several promising lead compounds that are currently undergoing preclinical evaluation.

The safety profile of 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid has also been evaluated in various preclinical models. Toxicity studies have shown that this compound exhibits low toxicity at therapeutic concentrations, making it a suitable candidate for further development. However, ongoing research is necessary to fully understand its long-term safety and potential side effects.

In conclusion, 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid (CAS No. 98276-75-6) represents a promising molecule with diverse biological activities and potential applications in medicine. Its unique chemical structure, synthetic accessibility, and favorable physicochemical properties make it an attractive target for further investigation and development. As research in this area continues to advance, it is likely that new insights into the therapeutic potential of this compound will emerge, paving the way for innovative treatments in various disease areas.

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Purity:97%
Quantity:10g
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