Cas no 1201657-31-9 (2-chloro-5-propan-2-ylpyrimidin-4-amine)

2-Chloro-5-propan-2-ylpyrimidin-4-amine is a substituted pyrimidine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its chloro and isopropyl functional groups enhance reactivity, making it a versatile intermediate for nucleophilic substitution and cross-coupling reactions. The amine group further allows for derivatization, enabling the formation of diverse heterocyclic compounds. This compound exhibits stability under standard conditions, ensuring consistent performance in synthetic applications. Its structural features make it particularly valuable in the development of bioactive molecules, including potential drug candidates and crop protection agents. High purity grades are available to meet rigorous research and industrial requirements.
2-chloro-5-propan-2-ylpyrimidin-4-amine structure
1201657-31-9 structure
Product Name:2-chloro-5-propan-2-ylpyrimidin-4-amine
CAS No:1201657-31-9
MF:C7H10ClN3
MW:171.627399921417
CID:2853848
PubChem ID:73555042
Update Time:2025-11-02

2-chloro-5-propan-2-ylpyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-(propan-2-yl)pyrimidin-4-amine
    • 1201657-31-9
    • SCHEMBL1427834
    • SB56104
    • CS-0217557
    • EN300-7726352
    • 2-Chloro-5-isopropylpyrimidin-4-amine
    • 2-chloro-5-propan-2-ylpyrimidin-4-amine
    • Inchi: 1S/C7H10ClN3/c1-4(2)5-3-10-7(8)11-6(5)9/h3-4H,1-2H3,(H2,9,10,11)
    • InChI Key: UEYBSKSZTQPLET-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(C(N)=N1)C(C)C

Computed Properties

  • Exact Mass: 171.0563250g/mol
  • Monoisotopic Mass: 171.0563250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 1.9
  • Topological Polar Surface Area: 51.8?2

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Additional information on 2-chloro-5-propan-2-ylpyrimidin-4-amine

2-Chloro-5-propan-2-ylpyrimidin-4-amine (CAS No. 1201657-31-9): A Comprehensive Overview

2-Chloro-5-propan-2-ylpyrimidin-4-amine (CAS No. 1201657-31-9) is a specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its chloro and isopropyl functional groups, serves as a key intermediate in the synthesis of biologically active molecules. Its unique structural features make it a valuable building block for drug discovery and material science applications.

The molecular formula of 2-chloro-5-propan-2-ylpyrimidin-4-amine is C7H10ClN3, with a molecular weight of 171.63 g/mol. The presence of the chlorine atom at the 2-position and the isopropyl group at the 5-position of the pyrimidine ring contributes to its distinct chemical reactivity. Researchers often explore its potential in medicinal chemistry, particularly in the development of kinase inhibitors and antimicrobial agents. Recent studies have highlighted its role in the synthesis of compounds targeting cancer pathways and inflammatory diseases, aligning with current trends in precision medicine.

In the agrochemical sector, 2-chloro-5-propan-2-ylpyrimidin-4-amine is investigated for its utility in creating novel pesticides and herbicides. Its structural motif is frequently incorporated into molecules designed to combat resistant pest strains, addressing the growing global concern over agricultural sustainability. The compound's stability under various environmental conditions makes it a promising candidate for field applications, particularly in formulations requiring prolonged activity.

The synthesis of 2-chloro-5-propan-2-ylpyrimidin-4-amine typically involves multi-step organic reactions, including amination and halogenation processes. Advanced techniques such as microwave-assisted synthesis and catalyzed cross-coupling have been employed to improve yield and purity, reflecting the industry's shift toward green chemistry practices. Analytical characterization via NMR spectroscopy, mass spectrometry, and HPLC ensures the compound meets stringent quality standards for research and industrial use.

Market demand for 2-chloro-5-propan-2-ylpyrimidin-4-amine has risen steadily, driven by its versatility in drug development and crop protection. Suppliers emphasize high-purity grades (>98%) to meet the needs of pharmaceutical manufacturers and agrochemical formulators. Regulatory compliance, including REACH and FDA guidelines, is rigorously maintained to facilitate global trade. The compound's patent landscape reveals ongoing innovation, with several applications pending for derivatives in therapeutic and agricultural domains.

From an environmental perspective, 2-chloro-5-propan-2-ylpyrimidin-4-amine is subject to biodegradability and ecotoxicity assessments. Modern research focuses on optimizing its metabolic pathways to minimize ecological impact, resonating with the circular economy paradigm. Computational modeling tools like QSAR (Quantitative Structure-Activity Relationship) aid in predicting its environmental fate, supporting safer product design.

In conclusion, 2-chloro-5-propan-2-ylpyrimidin-4-amine (CAS No. 1201657-31-9) exemplifies the intersection of chemistry and innovation. Its applications span life sciences, materials engineering, and sustainable agriculture, making it a compound of enduring scientific and commercial interest. As research advances, its role in addressing global health and food security challenges is expected to expand further.

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