Cas no 72063-78-6 (2,6-Dichloro-N-isobutylpyrimidin-4-amine)

2,6-Dichloro-N-isobutylpyrimidin-4-amine is a pyrimidine derivative with notable utility in organic synthesis and pharmaceutical research. Its dichloro-substituted pyrimidine core provides a reactive scaffold for further functionalization, making it a versatile intermediate in the development of agrochemicals, pharmaceuticals, and specialty chemicals. The isobutylamine moiety enhances solubility and influences steric and electronic properties, facilitating selective modifications. This compound is particularly valued for its stability under standard conditions and compatibility with diverse reaction conditions, including nucleophilic substitutions and cross-coupling reactions. Its well-defined structure and high purity make it suitable for applications requiring precise molecular control, such as medicinal chemistry and material science.
2,6-Dichloro-N-isobutylpyrimidin-4-amine structure
72063-78-6 structure
Product Name:2,6-Dichloro-N-isobutylpyrimidin-4-amine
CAS No:72063-78-6
MF:C8H11Cl2N3
MW:220.099039316177
MDL:MFCD20226414
CID:544620
PubChem ID:19429155
Update Time:2025-11-02

2,6-Dichloro-N-isobutylpyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dichloro-N-isobutylpyrimidin-4-amine
    • 2,6-dichloro-N-(2-methylpropyl)pyrimidin-4-amine
    • 4-Pyrimidinamine, 2,6-dichloro-N-(2-methylpropyl)-
    • AKOS016845434
    • SCHEMBL9090117
    • J-507448
    • SB59698
    • DTXSID50598745
    • 72063-78-6
    • MDL: MFCD20226414
    • Inchi: 1S/C8H11Cl2N3/c1-5(2)4-11-7-3-6(9)12-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13)
    • InChI Key: YLLIJVZCSFSEFW-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC(=N1)Cl)NCC(C)C

Computed Properties

  • Exact Mass: 219.03323
  • Monoisotopic Mass: 219.0330028g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 154
  • 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: 3.8
  • Topological Polar Surface Area: 37.8?2

Experimental Properties

  • PSA: 37.81

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Additional information on 2,6-Dichloro-N-isobutylpyrimidin-4-amine

Comprehensive Guide to 2,6-Dichloro-N-isobutylpyrimidin-4-amine (CAS No. 72063-78-6): Properties, Applications, and Market Insights

2,6-Dichloro-N-isobutylpyrimidin-4-amine (CAS No. 72063-78-6) is a specialized pyrimidine derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its unique chlorinated pyrimidine structure, has garnered attention for its potential as a building block in drug discovery and crop protection formulations. With the increasing demand for novel heterocyclic compounds in modern chemistry, understanding this molecule's properties and applications becomes crucial for researchers and industry professionals.

The molecular structure of 2,6-Dichloro-N-isobutylpyrimidin-4-amine features a pyrimidine core with chlorine substitutions at the 2 and 6 positions, coupled with an isobutylamino group at position 4. This configuration contributes to its distinctive chemical reactivity and makes it valuable for various synthetic transformations. Recent trends in medicinal chemistry have shown growing interest in such halogenated pyrimidines due to their potential biological activities and versatility in molecular design.

In pharmaceutical applications, 2,6-Dichloro-N-isobutylpyrimidin-4-amine serves as a key intermediate for developing potential therapeutic agents. Researchers are particularly interested in its utility for creating kinase inhibitors and other targeted therapies. The compound's structural features allow for diverse modifications, enabling the development of novel drug candidates with improved pharmacokinetic properties. Current studies explore its potential in addressing various health challenges, aligning with the global focus on precision medicine and personalized therapeutics.

The agrochemical sector has also shown interest in 2,6-Dichloro-N-isobutylpyrimidin-4-amine as a precursor for developing new crop protection agents. With the agricultural industry facing challenges from pest resistance and stricter environmental regulations, there's growing demand for innovative pyrimidine-based agrochemicals. This compound's structural characteristics make it suitable for creating selective pesticides with reduced environmental impact, addressing the need for sustainable agriculture solutions.

From a synthetic chemistry perspective, 2,6-Dichloro-N-isobutylpyrimidin-4-amine offers multiple reactive sites for further functionalization. The chlorine atoms at positions 2 and 6 can undergo various substitution reactions, while the amino group provides additional modification opportunities. This versatility makes the compound valuable for combinatorial chemistry and high-throughput screening applications, particularly in drug discovery programs seeking novel bioactive molecules.

Market analysis indicates steady growth in demand for pyrimidine derivatives like 2,6-Dichloro-N-isobutylpyrimidin-4-amine. The global pharmaceutical intermediates market, valued at over $30 billion, continues to expand with increasing R&D investments in drug development. Similarly, the agrochemical intermediates market shows promising growth, driven by the need for innovative crop protection solutions. These market dynamics create opportunities for manufacturers and suppliers of specialized heterocyclic compounds.

Quality control and analytical characterization are critical aspects when working with 2,6-Dichloro-N-isobutylpyrimidin-4-amine. Advanced techniques such as HPLC, GC-MS, and NMR spectroscopy are typically employed to ensure purity and verify structural integrity. Proper storage conditions, typically in cool, dry environments protected from light, help maintain the compound's stability over extended periods.

Recent scientific literature highlights innovative applications of 2,6-Dichloro-N-isobutylpyrimidin-4-amine in materials science. Researchers are exploring its potential as a building block for functional materials, including organic semiconductors and metal-organic frameworks (MOFs). These developments align with current interests in advanced materials for energy storage, optoelectronics, and other high-tech applications.

Environmental and safety considerations for handling 2,6-Dichloro-N-isobutylpyrimidin-4-amine follow standard laboratory protocols for chemical safety. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and safety glasses should be used when handling the compound. Waste disposal should comply with local regulations for chemical waste management.

The future outlook for 2,6-Dichloro-N-isobutylpyrimidin-4-amine appears promising, with potential applications expanding beyond its current uses. As research in targeted drug delivery and smart agrochemicals advances, this compound may find new roles in developing next-generation therapeutic and agricultural products. Its structural versatility positions it well for emerging applications in green chemistry and bioconjugation techniques.

For researchers and industry professionals seeking reliable sources of 2,6-Dichloro-N-isobutylpyrimidin-4-amine, it's essential to work with reputable suppliers who can provide comprehensive analytical data and certificates of analysis. The compound is typically available in research quantities from specialty chemical providers, with customization options for specific purity requirements or isotopic labeling needs.

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