Cas no 120747-86-6 (5-(chloromethyl)pyrimidin-2-amine;hydrochloride)

5-(Chloromethyl)pyrimidin-2-amine hydrochloride is a versatile chemical intermediate used in pharmaceutical and agrochemical synthesis. Its reactive chloromethyl group enables efficient functionalization, making it valuable for constructing pyrimidine-based compounds. The hydrochloride salt enhances stability and solubility, facilitating handling and storage. This compound is particularly useful in nucleoside modifications and heterocyclic chemistry, where its amine functionality allows for further derivatization. High purity and consistent quality ensure reliable performance in research and industrial applications. Its structural features support the development of bioactive molecules, including potential drug candidates and specialty chemicals. Proper handling under controlled conditions is recommended due to its reactivity.
5-(chloromethyl)pyrimidin-2-amine;hydrochloride structure
120747-86-6 structure
Product Name:5-(chloromethyl)pyrimidin-2-amine;hydrochloride
CAS No:120747-86-6
MF:C5H7Cl2N3
MW:180.035178422928
MDL:MFCD09056752
CID:136268
PubChem ID:56845624
Update Time:2025-11-02

5-(chloromethyl)pyrimidin-2-amine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 5-(Chloromethyl)pyrimidin-2-amine
    • 2-AMINO-5-CHLOROMETHYLPYRIMIDINE
    • 2-Pyrimidinamine,5-(chloromethyl)-, hydrochloride (1:1)
    • 5-(chloromethyl)-2-Pyrimidinamine hydrochloride
    • 5-(CHLOROMETHYL)PYRIMIDIN-2-AMINE HYDROCHLORIDE
    • 5-Chloromethyl-pyrimidin-2-ylamine
    • 2-AMino-5-chloroMethylpyriMidine (HCl salt)
    • 5-(Chloromethyl)-2-pyrimidinamine monohydrochloride
    • 2-Amino-5-chloromethylpyrimidine hydrochloride
    • 5-(chloromethyl)pyrimidin-2-amine:hydrochloride
    • 2-Amino-5-(chloromethyl)pyrimidine Hydrochloride
    • 2-Amino-5-(chloromethyl)pyrimidine
    • AB49671
    • 2-Amino-5-(chloromethyl)pyrimidine HCl
    • SY026827
    • 5-(chloromethyl)pyrimidin-2-amine;hydrochloride
    • 2-Amino-5-(chloromethyl)pyrimidineHydrochloride
    • SCHEMBL18286217
    • VEA74786
    • AS-67702
    • 120747-86-6
    • AC2011
    • MFCD09056752
    • AKOS015911879
    • DB-061799
    • MDL: MFCD09056752
    • Inchi: 1S/C5H6ClN3.ClH/c6-1-4-2-8-5(7)9-3-4;/h2-3H,1H2,(H2,7,8,9);1H
    • InChI Key: HZCDXBZHIFMCGF-UHFFFAOYSA-N
    • SMILES: ClCC1=CN=C(N)N=C1.Cl

Computed Properties

  • Exact Mass: 179.00200
  • Monoisotopic Mass: 143.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 80.3
  • 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: 51.8

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 320.2±25.0 °C at 760 mmHg
  • Flash Point: 148.6±17.2 °C
  • Refractive Index: 1.604
  • PSA: 51.80000
  • LogP: 2.18080
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

5-(chloromethyl)pyrimidin-2-amine;hydrochloride Security Information

5-(chloromethyl)pyrimidin-2-amine;hydrochloride Pricemore >>

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5-(chloromethyl)pyrimidin-2-amine;hydrochloride Production Method

Additional information on 5-(chloromethyl)pyrimidin-2-amine;hydrochloride

5-(Chloromethyl)pyrimidin-2-amine Hydrochloride: A Versatile Chemical Intermediate for Modern Applications

5-(Chloromethyl)pyrimidin-2-amine hydrochloride (CAS No. 120747-86-6) is a specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, often referred to as 2-amino-5-(chloromethyl)pyrimidine hydrochloride, serves as a crucial building block in the synthesis of various biologically active molecules. Its unique molecular structure, featuring both a reactive chloromethyl group and an amino group on the pyrimidine ring, makes it particularly valuable for heterocyclic chemistry applications.

The growing interest in 5-(chloromethyl)pyrimidin-2-amine HCl aligns with current trends in small molecule drug discovery and precision agriculture. Researchers are actively exploring its potential in developing novel kinase inhibitors, which represent one of the most sought-after therapeutic targets in oncology. The compound's ability to serve as a scaffold for structure-activity relationship (SAR) studies makes it particularly valuable in medicinal chemistry optimization programs.

From a chemical perspective, 5-(chloromethyl)pyrimidin-2-amine hydrochloride exhibits several noteworthy characteristics. The hydrochloride salt form enhances its stability and solubility in various reaction media, while the chloromethyl moiety provides an excellent handle for further functionalization through nucleophilic substitution reactions. This versatility has led to its increasing adoption in combinatorial chemistry approaches, where rapid generation of molecular diversity is essential.

The synthesis of CAS 120747-86-6 typically involves the chloromethylation of appropriately protected pyrimidine precursors, followed by selective deprotection and salt formation. Recent advances in green chemistry have prompted investigations into more sustainable production methods for this intermediate, addressing growing concerns about environmental impact in chemical manufacturing.

In pharmaceutical applications, 2-amino-5-(chloromethyl)pyrimidine HCl has shown particular promise in the development of targeted therapies. Its structural features make it amenable to modifications that can enhance drug-like properties, including improved bioavailability and metabolic stability. These attributes are especially valuable in the context of personalized medicine, where molecular specificity is paramount.

The agrochemical sector has also recognized the potential of 5-(chloromethyl)pyrimidin-2-amine hydrochloride in developing next-generation crop protection agents. Its pyrimidine core is a common structural motif in many commercial fungicides and herbicides, and researchers are exploring its utility in creating compounds with novel modes of action to address emerging pest resistance challenges.

Quality control for CAS 120747-86-6 typically involves rigorous analytical characterization using techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure the compound meets the stringent purity requirements necessary for research and development applications. The growing emphasis on quality by design (QbD) principles in chemical manufacturing has further refined production protocols for this intermediate.

Market dynamics for 5-(chloromethyl)pyrimidin-2-amine HCl reflect broader trends in fine chemicals supply. With increasing demand from both pharmaceutical and agrochemical sectors, manufacturers are focusing on scaling up production while maintaining consistent quality. The compound's position in the value chain as a key intermediate ensures its continued relevance in specialty chemical markets.

From a regulatory standpoint, proper handling and storage of 2-amino-5-(chloromethyl)pyrimidine hydrochloride are essential to maintain its stability and performance characteristics. While not classified as hazardous under normal conditions, standard laboratory safety protocols should be observed when working with this chemical intermediate.

Future research directions for 120747-86-6 are likely to explore its potential in emerging areas such as proteolysis targeting chimeras (PROTACs) and other targeted protein degradation technologies. The compound's structural features make it an attractive candidate for incorporation into these innovative therapeutic modalities that are currently transforming drug discovery paradigms.

In conclusion, 5-(chloromethyl)pyrimidin-2-amine hydrochloride represents a versatile and valuable chemical building block with wide-ranging applications in life sciences research. Its unique combination of reactivity and structural features continues to inspire innovation across multiple scientific disciplines, from medicinal chemistry to materials science. As research into pyrimidine-based compounds advances, the importance of this intermediate is expected to grow accordingly.

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