Cas no 89728-42-7 (6-Chloro-N-ethyl-2-methylpyrimidin-4-amine)

6-Chloro-N-ethyl-2-methylpyrimidin-4-amine is a pyrimidine derivative with notable applications in pharmaceutical and agrochemical research. Its structural features, including the chloro and ethylamino substituents, make it a versatile intermediate for synthesizing biologically active compounds. The compound exhibits favorable reactivity in nucleophilic substitution reactions, enabling modifications at the 4- and 6-positions. Its stability under standard conditions and high purity make it suitable for precision synthesis. Researchers value this compound for its role in developing potential therapeutic agents and crop protection chemicals, owing to its well-defined chemical properties and compatibility with diverse reaction conditions.
6-Chloro-N-ethyl-2-methylpyrimidin-4-amine structure
89728-42-7 structure
Product Name:6-Chloro-N-ethyl-2-methylpyrimidin-4-amine
CAS No:89728-42-7
MF:C7H10ClN3
MW:171.627399921417
MDL:MFCD16768996
CID:1031325
PubChem ID:19789521
Update Time:2025-06-12

6-Chloro-N-ethyl-2-methylpyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-N-ethyl-2-methylpyrimidin-4-amine
    • CS-0367389
    • DTXSID80599942
    • 89728-42-7
    • SB56949
    • AKOS011771302
    • J-518628
    • SCHEMBL9592998
    • F1967-4651
    • MDL: MFCD16768996
    • Inchi: 1S/C7H10ClN3/c1-3-9-7-4-6(8)10-5(2)11-7/h4H,3H2,1-2H3,(H,9,10,11)
    • InChI Key: XAFBVHHOSNNKEI-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC(C)=N1)NCC

Computed Properties

  • Exact Mass: 171.0563250g/mol
  • Monoisotopic Mass: 171.0563250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 120
  • 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: 2.2
  • Topological Polar Surface Area: 37.8?2

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Additional information on 6-Chloro-N-ethyl-2-methylpyrimidin-4-amine

Comprehensive Overview of 6-Chloro-N-ethyl-2-methylpyrimidin-4-amine (CAS No. 89728-42-7): Properties, Applications, and Industry Insights

6-Chloro-N-ethyl-2-methylpyrimidin-4-amine (CAS No. 89728-42-7) is a specialized pyrimidine derivative gaining attention in pharmaceutical and agrochemical research. This compound, characterized by its chloro and ethylamine functional groups, serves as a versatile intermediate in synthetic chemistry. Its molecular structure, C7H10ClN3, offers unique reactivity patterns, making it valuable for designing novel bioactive molecules. Researchers are increasingly exploring its potential in drug discovery, particularly for targeting enzyme inhibition pathways.

In recent years, the demand for pyrimidine-based compounds like 6-Chloro-N-ethyl-2-methylpyrimidin-4-amine has surged due to their role in developing kinase inhibitors and antimicrobial agents. A 2023 study highlighted its utility in optimizing crop protection chemicals, aligning with the global push for sustainable agriculture. The compound’s N-ethyl moiety enhances lipid solubility, a critical factor in bioavailability—a hot topic in AI-driven drug design forums and computational chemistry platforms.

Synthesis of CAS 89728-42-7 typically involves nucleophilic substitution reactions under controlled conditions. Analytical techniques such as HPLC and LC-MS are employed to verify purity, a frequent search query among quality control professionals. Notably, its melting point (128-130°C) and logP value (2.1) make it suitable for formulations requiring moderate hydrophobicity—addressing common formulation challenges discussed in pharma optimization webinars.

From an SEO perspective, trending queries like "pyrimidine amine derivatives in drug discovery" and "chloropyrimidine synthesis guide" reflect growing interest. Environmental considerations are also prominent; green chemistry approaches to produce 89728-42-7 using catalyzed amination methods reduce waste, resonating with ESG-focused manufacturers. Regulatory databases confirm its compliance with major chemical inventories (e.g., TSCA, REACH), a key concern for exporters.

Innovative applications include its use in fluorescence probes for cellular imaging—a niche explored in biomedical research journals. Patent analyses reveal its incorporation in heterocyclic libraries for high-throughput screening, answering frequent questions about diverse compound libraries. Storage recommendations (2-8°C under inert atmosphere) and handling protocols are critical for lab safety, often searched alongside chemical stability guidelines.

Market analysts project growth for chloropyrimidine intermediates, driven by oncology and antiviral research. The compound’s MW 171.63 g/mol and hydrogen bond acceptor count (3) are frequently cited in QSAR modeling discussions. As industries prioritize structure-activity relationship (SAR) studies, 6-Chloro-N-ethyl-2-methylpyrimidin-4-amine remains a focal point for medicinal chemistry innovations.

In conclusion, CAS 89728-42-7 exemplifies the intersection of synthetic utility and therapeutic potential. Its adaptability across R&D sectors—from small-molecule APIs to agrochemical adjuvants—ensures sustained relevance. For researchers querying "pyrimidine scaffold modifications" or "N-ethylamine derivatives applications," this compound offers a compelling case study in modern chemical development.

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