Cas no 1263094-76-3 (5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride)

5-Acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride is a heterocyclic compound featuring a pyrimidinone core functionalized with acetyl and methyl substituents. Its hydrochloride salt form enhances solubility and stability, making it suitable for synthetic applications in pharmaceutical and agrochemical research. The compound serves as a versatile intermediate in the synthesis of more complex molecules, particularly those targeting biologically active scaffolds. The presence of both acetyl and methyl groups offers reactive sites for further derivatization, enabling tailored modifications for structure-activity studies. Its well-defined crystalline structure ensures consistent purity, supporting reproducibility in experimental workflows. This compound is particularly valuable in medicinal chemistry for exploring novel pharmacophores.
5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride structure
1263094-76-3 structure
Product Name:5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride
CAS No:1263094-76-3
MF:C7H9ClN2O2
MW:188.611560583115
CID:4584053
Update Time:2025-05-20

5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride
    • Inchi: 1S/C7H8N2O2.ClH/c1-4-6(5(2)10)3-8-7(11)9-4;/h3H,1-2H3,(H,8,9,11);1H
    • InChI Key: DFSOLCICOFOWAL-UHFFFAOYSA-N
    • SMILES: C(C1C=NC(=O)NC=1C)(=O)C.Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1

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Additional information on 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride

Comprehensive Guide to 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride (CAS No. 1263094-76-3)

5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride (CAS No. 1263094-76-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound belongs to the pyrimidinone family, which is known for its versatile applications in drug development and material science. Researchers and industry professionals frequently search for 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride suppliers, synthesis methods, and applications in medicinal chemistry, making it a topic of high relevance in scientific discussions.

The molecular structure of 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride features a pyrimidinone core substituted with acetyl and methyl groups, along with a hydrochloride salt form. This unique configuration contributes to its stability and solubility, which are critical factors for its use in laboratory settings. The compound's CAS No. 1263094-76-3 serves as a universal identifier, ensuring accurate referencing in academic and industrial databases. Recent trends indicate growing interest in pyrimidinone derivatives for drug discovery, particularly in the development of kinase inhibitors and antiviral agents.

One of the most searched topics related to 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride is its role in pharmaceutical intermediates. The compound acts as a key building block in the synthesis of more complex molecules, enabling researchers to explore new therapeutic avenues. Its acetyl and methyl functional groups offer reactive sites for further chemical modifications, making it a valuable tool for structure-activity relationship (SAR) studies. Additionally, the hydrochloride salt form enhances its compatibility with aqueous systems, a feature often highlighted in queries about solubility and formulation.

In the context of market dynamics, demand for 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride has been steadily increasing, driven by advancements in personalized medicine and targeted therapies. Companies specializing in fine chemicals and custom synthesis often list this compound in their portfolios, catering to academic institutions and pharmaceutical firms. The rise of AI-driven drug discovery has further amplified interest in such compounds, as computational models frequently identify pyrimidinone derivatives as promising candidates for further investigation.

From a safety and handling perspective, 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride is generally regarded as stable under standard laboratory conditions. However, researchers are advised to consult material safety data sheets (MSDS) and follow good laboratory practices (GLP) when working with this compound. Common search queries include storage recommendations and compatibility with other reagents, reflecting the practical concerns of end-users.

The analytical characterization of 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride typically involves techniques such as nuclear magnetic resonance (NMR), high-performance liquid chromatography (HPLC), and mass spectrometry (MS). These methods ensure the compound's purity and identity, which are crucial for reproducible research outcomes. Recent publications have also explored its spectroscopic properties, addressing another common area of inquiry among scientists.

Looking ahead, the potential applications of 5-acetyl-4-methyl-2(1H)-pyrimidinone hydrochloride are expected to expand, particularly in the fields of bioconjugation and prodrug development. Its structural features make it a candidate for designing targeted drug delivery systems, a hot topic in contemporary pharmaceutical research. As the scientific community continues to explore its capabilities, this compound is likely to remain a subject of interest in both academic and industrial settings.

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