Cas no 754165-23-6 (2-Pyrimidinecarbonitrile,5-(aminomethyl)-)

2-Pyrimidinecarbonitrile,5-(aminomethyl)- is a versatile heterocyclic compound featuring both a pyrimidine core and reactive functional groups, including a nitrile and an aminomethyl substituent. Its molecular structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients and fine chemicals. The presence of the aminomethyl group enhances its reactivity, enabling selective modifications for targeted applications. The nitrile moiety further expands its utility in cyclization and coupling reactions. This compound is characterized by high purity and stability, ensuring consistent performance in research and industrial processes. Its well-defined properties make it suitable for use in medicinal chemistry and material science applications.
2-Pyrimidinecarbonitrile,5-(aminomethyl)- structure
754165-23-6 structure
Product Name:2-Pyrimidinecarbonitrile,5-(aminomethyl)-
CAS No:754165-23-6
MF:C6H6N4
MW:134.13863992691
MDL:MFCD30828733
CID:561910
PubChem ID:22476051
Update Time:2025-05-28

2-Pyrimidinecarbonitrile,5-(aminomethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinecarbonitrile,5-(aminomethyl)-
    • 2-Pyrimidinecarbonitrile, 5-(aminomethyl)- (9CI)
    • 2-PYRIMIDINECARBONITRILE, 5-(AMINOMETHYL)
    • 5-(aminomethyl)-2-Pyrimidinecarbonitrile
    • A923203
    • s11351
    • SB56540
    • 2-Pyrimidinecarbonitrile,5-(aminomethyl)-(9ci)
    • 754165-23-6
    • SCHEMBL6476454
    • 5-(aminomethyl)pyrimidine-2-carbonitrile
    • CS-0343154
    • MDL: MFCD30828733
    • Inchi: 1S/C6H6N4/c7-1-5-3-9-6(2-8)10-4-5/h3-4H,1,7H2
    • InChI Key: KSWGPGWIHUIGJM-UHFFFAOYSA-N
    • SMILES: NCC1=CN=C(C#N)N=C1

Computed Properties

  • Exact Mass: 134.059
  • Monoisotopic Mass: 134.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 139
  • 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
  • Topological Polar Surface Area: 75.6A^2
  • XLogP3: -0.9

Experimental Properties

  • Density: 1.26
  • Boiling Point: 336.5±34.0°C at 760 mmHg
  • Flash Point: 157℃

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2-Pyrimidinecarbonitrile,5-(aminomethyl)- Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:754165-23-6)2-Pyrimidinecarbonitrile,5-(aminomethyl)-
Order Number:A923203
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:35
Price ($):733.0

Additional information on 2-Pyrimidinecarbonitrile,5-(aminomethyl)-

Comprehensive Overview of 2-Pyrimidinecarbonitrile,5-(aminomethyl)- (CAS No. 754165-23-6)

2-Pyrimidinecarbonitrile,5-(aminomethyl)-, with the CAS number 754165-23-6, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the pyrimidine family, a class of heterocyclic aromatic compounds widely utilized in drug discovery and material science. The presence of both cyano (-CN) and aminomethyl (-CH2NH2) functional groups in its structure makes it a versatile intermediate for synthesizing bioactive molecules. Researchers are particularly interested in its potential applications in kinase inhibitors and antimicrobial agents, aligning with current trends in precision medicine and antibiotic resistance solutions.

The molecular formula of 2-Pyrimidinecarbonitrile,5-(aminomethyl)- is C6H6N4, and its systematic IUPAC name reflects its unique substitution pattern. Its high purity and structural stability under controlled conditions make it suitable for advanced synthetic protocols. In recent years, the demand for such fine chemicals has surged due to their role in developing targeted therapies and sustainable agrochemicals. This compound’s relevance is further highlighted by its frequent appearance in patent literature related to cancer treatment and crop protection, addressing two of the most pressing global challenges today.

From a synthetic chemistry perspective, 2-Pyrimidinecarbonitrile,5-(aminomethyl)- serves as a key building block for constructing more complex molecules. Its reactivity allows for modifications at multiple sites, enabling the creation of derivatives with tailored properties. For instance, the cyano group can undergo nucleophilic addition reactions, while the aminomethyl moiety facilitates coupling reactions or serves as a point for further functionalization. Such flexibility is crucial in medicinal chemistry, where small structural changes can significantly alter a compound’s biological activity.

In the context of green chemistry, researchers are exploring eco-friendly synthesis routes for 2-Pyrimidinecarbonitrile,5-(aminomethyl)- to minimize waste and energy consumption. This aligns with the growing emphasis on sustainable manufacturing practices across the chemical industry. Additionally, computational tools like AI-driven molecular modeling are being employed to predict its interactions with biological targets, accelerating the drug discovery process. These advancements address common user queries about cost-effective synthesis and time-efficient R&D methodologies.

Quality control is paramount when working with 2-Pyrimidinecarbonitrile,5-(aminomethyl)-. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry ensure its purity and consistency, which are critical for reproducible research outcomes. Suppliers often provide certificates of analysis (CoA) to verify these parameters, addressing concerns about material traceability and regulatory compliance—topics frequently searched by industry professionals.

The compound’s potential extends beyond pharmaceuticals. In materials science, its aromatic core and functional groups make it a candidate for designing organic semiconductors or metal-organic frameworks (MOFs). Such applications resonate with trends in renewable energy and smart materials, further broadening its appeal. Users searching for innovative chemical applications or cross-disciplinary research will find this aspect particularly relevant.

In summary, 2-Pyrimidinecarbonitrile,5-(aminomethyl)- (CAS No. 754165-23-6) exemplifies the intersection of chemistry and cutting-edge technology. Its multifaceted utility in drug development, sustainable agriculture, and advanced materials underscores its importance in modern scientific endeavors. As research continues to uncover new applications, this compound is poised to remain a focal point in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:754165-23-6)2-Pyrimidinecarbonitrile,5-(aminomethyl)-
A923203
Purity:99%
Quantity:1g
Price ($):733.0
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