Cas no 16858-50-7 (2-ethyl-6-methylpyrimidin-4-ol)

2-Ethyl-6-methylpyrimidin-4-ol is a pyrimidine derivative characterized by its ethyl and methyl substituents at the 2- and 6-positions, respectively, along with a hydroxyl group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its pyrimidine core offers structural utility for constructing heterocyclic frameworks, while the hydroxyl group enhances reactivity for further functionalization. The ethyl and methyl groups contribute to its lipophilicity, influencing solubility and binding properties. The compound is valued for its stability and compatibility with a range of reaction conditions, making it a practical choice for researchers in medicinal and synthetic chemistry.
2-ethyl-6-methylpyrimidin-4-ol structure
16858-50-7 structure
Product Name:2-ethyl-6-methylpyrimidin-4-ol
CAS No:16858-50-7
MF:C7H10N2O
MW:138.167101383209
MDL:MFCD12137496
CID:121933
PubChem ID:135417368
Update Time:2025-06-27

2-ethyl-6-methylpyrimidin-4-ol Chemical and Physical Properties

Names and Identifiers

    • 4(3H)-Pyrimidinone,2-ethyl-6-methyl-
    • 2-ethyl-6-methyl-4(3H)pyrimidone
    • 4(1H)-Pyrimidinone, 2-ethyl-6-methyl- (8CI,9CI)
    • 2-Ethyl-6-methyl-4(1H)-pyrimidinone
    • 2-ethyl-6-methylpyrimidin-4-ol
    • EN300-203236
    • 2-ethyl-4-methyl-1H-pyrimidin-6-one
    • ethyl-4-methyl-6-hydroxypyrimidine
    • SCHEMBL732744
    • 2-ethyl-6-methyl-1H-pyrimidin-4-one
    • 16858-50-7
    • 2-ethyl-6-methylpyrimidin-4(1h)-one
    • 4(1H)-Pyrimidinone, 2-ethyl-6-methyl-
    • 2-ethyl-4-methyl-1,6-dihydro-6-pyrimidone
    • SCHEMBL12673026
    • AKOS009579296
    • 2-Ethyl-6-methyl-4(1H)-pyrimidinone #
    • MDL: MFCD12137496
    • Inchi: 1S/C7H10N2O/c1-3-6-8-5(2)4-7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
    • InChI Key: GMXCUPXRGWZPDH-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C)N=C(CC)N1

Computed Properties

  • Exact Mass: 138.0794
  • Monoisotopic Mass: 138.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 216
  • 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: 0.1
  • Topological Polar Surface Area: 41.5?2

Experimental Properties

  • PSA: 41.46

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Additional information on 2-ethyl-6-methylpyrimidin-4-ol

Professional Introduction to Compound with CAS No. 16858-50-7 and Product Name: 2-ethyl-6-methylpyrimidin-4-ol

The compound with the CAS number 16858-50-7 is a significant chemical entity in the field of pharmaceutical and agrochemical research. Its systematic name, 2-ethyl-6-methylpyrimidin-4-ol, provides a detailed insight into its molecular structure, which comprises an ethyl group at the 2-position, a methyl group at the 6-position, and a hydroxyl group at the 4-position of the pyrimidine ring. This unique arrangement of functional groups makes it a versatile intermediate in synthetic chemistry, particularly in the development of novel heterocyclic compounds.

Pyrimidine derivatives have long been recognized for their broad spectrum of biological activities. Among these, 2-ethyl-6-methylpyrimidin-4-ol has garnered attention due to its potential applications in medicinal chemistry. Recent studies have highlighted its role as a precursor in the synthesis of various pharmacologically active molecules. The presence of both ethyl and methyl substituents enhances its reactivity, making it a valuable building block for further functionalization.

In the realm of drug discovery, 2-ethyl-6-methylpyrimidin-4-ol has been explored as a scaffold for developing new therapeutic agents. Its structural motif is reminiscent of several known bioactive compounds, which exhibit properties such as antimicrobial, antiviral, and anticancer activities. The hydroxyl group at the 4-position provides a site for further derivatization, allowing chemists to tailor the compound's properties to specific biological targets.

Recent advancements in computational chemistry have enabled researchers to predict the binding affinities and mechanisms of action of 2-ethyl-6-methylpyrimidin-4-ol derivatives with high accuracy. These computational studies have identified promising lead compounds that are being further optimized through experimental synthesis. The integration of in silico and wet-lab approaches has significantly accelerated the drug discovery process, making 2-ethyl-6-methylpyrimidin-4-ol an indispensable tool in modern pharmaceutical research.

The agrochemical industry has also benefited from the versatility of 2-ethyl-6-methylpyrimidin-4-ol. As a key intermediate in the synthesis of herbicides and fungicides, this compound contributes to the development of more effective and environmentally friendly crop protection agents. The ability to modify its structure allows for the creation of compounds that target specific pests or diseases while minimizing harm to non-target organisms.

One particularly intriguing aspect of 2-ethyl-6-methylpyrimidin-4-ol is its potential in material science applications. Pyrimidine-based polymers and coatings exhibit excellent thermal stability and mechanical strength, making them suitable for high-performance materials. Researchers are exploring ways to incorporate 2-ethyl-6-methylpyrimidin-4-ol into these materials to enhance their properties further. Such innovations could lead to breakthroughs in areas such as electronics, aerospace, and construction.

The synthesis of 2-ethyl-6-methylpyrimidin-4-ol involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Modern synthetic methodologies, including catalytic processes and flow chemistry, have improved the efficiency of these reactions significantly. These advancements not only reduce costs but also minimize waste, aligning with the growing emphasis on sustainable chemistry practices.

As our understanding of molecular interactions continues to evolve, so does our appreciation for compounds like 2-ethyl-6-methylpyrimidin-4 ol. The integration of cutting-edge technologies such as CRISPR-Cas9 gene editing and artificial intelligence-driven drug design is opening new avenues for therapeutic applications. By leveraging the structural diversity offered by pyrimidine derivatives like this one, scientists are poised to address some of humanity's most pressing health challenges.

In conclusion,2 ethyl 6 methyl pyrimidin 4 ol stands as a cornerstone in contemporary chemical research due to its multifaceted applications across pharmaceuticals agrochemicals material science and beyond Its unique structural features offer unparalleled opportunities for innovation while its role as a versatile intermediate underscores its importance in synthetic chemistry The ongoing exploration into this compound promises further breakthroughs that will shape the future landscape

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