Cas no 126804-42-0 (4,5-dichloro-6-methoxy-2-methylPyrimidine)

4,5-dichloro-6-methoxy-2-methylPyrimidine structure
126804-42-0 structure
Product Name:4,5-dichloro-6-methoxy-2-methylPyrimidine
CAS No:126804-42-0
MF:C6H6Cl2N2O
MW:193.0306391716
CID:2114065
PubChem ID:15003621
Update Time:2025-11-02

4,5-dichloro-6-methoxy-2-methylPyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4,5-dichloro-6-methoxy-2-methylPyrimidine
    • DA-21977
    • SB57600
    • 126804-42-0
    • SCHEMBL9538834
    • UCSMIPZTNATBOX-UHFFFAOYSA-N
    • Inchi: 1S/C6H6Cl2N2O/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3
    • InChI Key: UCSMIPZTNATBOX-UHFFFAOYSA-N
    • SMILES: ClC1=C(N=C(C)N=C1OC)Cl

Computed Properties

  • Exact Mass: 191.9857182Da
  • Monoisotopic Mass: 191.9857182Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • 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: 2.5
  • Topological Polar Surface Area: 35?2

4,5-dichloro-6-methoxy-2-methylPyrimidine Pricemore >>

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Additional information on 4,5-dichloro-6-methoxy-2-methylPyrimidine

Comprehensive Overview of 4,5-Dichloro-6-methoxy-2-methylPyrimidine (CAS No. 126804-42-0)

4,5-Dichloro-6-methoxy-2-methylPyrimidine (CAS No. 126804-42-0) is a specialized pyrimidine derivative widely utilized in pharmaceutical and agrochemical research. This compound belongs to the class of heterocyclic compounds, which are pivotal in drug discovery due to their structural versatility and biological activity. The presence of chloro and methoxy substituents enhances its reactivity, making it a valuable intermediate in synthesizing bioactive molecules. Researchers often explore its potential in kinase inhibition and antiviral drug development, aligning with current trends in precision medicine and infectious disease control.

In recent years, the demand for 4,5-Dichloro-6-methoxy-2-methylPyrimidine has surged due to its role in developing small-molecule therapeutics. Its structural features enable modifications that improve drug bioavailability and target specificity, addressing challenges in cancer therapy and neurodegenerative diseases. A common query among scientists is how this compound compares to other pyrimidine-based scaffolds in terms of synthetic efficiency and cost-effectiveness. Studies suggest its balanced reactivity profile offers advantages in high-throughput screening and combinatorial chemistry.

The synthesis of 4,5-Dichloro-6-methoxy-2-methylPyrimidine typically involves halogenation and etherification of pyrimidine precursors. Optimizing these processes is critical for industrial-scale production, as highlighted in patents focusing on green chemistry and solvent-free reactions. Environmental concerns have driven interest in catalytic methods to reduce waste, resonating with the broader push for sustainable chemical manufacturing. Analytical techniques like HPLC and NMR are essential for verifying purity, a frequent topic in quality control discussions.

Beyond pharmaceuticals, 4,5-Dichloro-6-methoxy-2-methylPyrimidine finds applications in material science, particularly in designing organic semiconductors. Its electron-withdrawing groups contribute to tunable charge transport properties, relevant for optoelectronic devices. This dual utility in life sciences and advanced materials underscores its interdisciplinary importance. As AI-driven molecular modeling accelerates compound discovery, databases increasingly catalog its physicochemical data for virtual screening pipelines.

Regulatory compliance for 4,5-Dichloro-6-methoxy-2-methylPyrimidine adheres to global REACH and GMP standards, ensuring safe handling in laboratories. FAQs often center on storage conditions (e.g., inert atmospheres) and compatibility with common reagents. The compound’s stability under varying pH levels also makes it a candidate for prodrug formulations, a hot topic in drug delivery systems. Collaborative studies between academia and industry continue to expand its applications, reinforcing its status as a high-value chemical building block.

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