Cas no 446829-97-6 ((4,6-Dimethylpyrimidin-2-yl)methanamine)

(4,6-Dimethylpyrimidin-2-yl)methanamine is a pyrimidine derivative featuring a primary amine functional group attached to the 2-position of a dimethyl-substituted pyrimidine ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and coordination chemistry. Its rigid pyrimidine core and reactive amine group make it suitable for constructing heterocyclic frameworks or acting as a ligand in metal complexes. The dimethyl substitution enhances steric and electronic properties, influencing reactivity and stability. High purity grades are available for research and industrial applications, ensuring consistent performance in synthetic workflows. Proper handling under inert conditions is recommended due to the amine's sensitivity to air and moisture.
(4,6-Dimethylpyrimidin-2-yl)methanamine structure
446829-97-6 structure
Product Name:(4,6-Dimethylpyrimidin-2-yl)methanamine
CAS No:446829-97-6
MF:C7H11N3
MW:137.182340860367
MDL:MFCD03011604
CID:1019898
PubChem ID:26722450
Update Time:2025-06-08

(4,6-Dimethylpyrimidin-2-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (4,6-Dimethylpyrimidin-2-yl)methanamine
    • 1-(4,6-Dimethylpyrimidin-2-yl)methanamine
    • 2-Pyrimidinemethanamine, 4,6-dimethyl- (9CI)
    • (4,6-dimethylpyrimidin-2-yl)methylamine
    • AB12971
    • ANW-66502
    • CTK8C1410
    • MolPort-003-178-861
    • SBB017912
    • SureCN1631564
    • C-(4,6-Dimethyl-pyrimidin-2-yl)-methylamine
    • JBZOSEGGQJXUQN-UHFFFAOYSA-N
    • 4,6-Dimethyl-2-aminomethylpyrimidine
    • 446829-97-6
    • 2-Pyrimidinemethanamine,4,6-dimethyl-
    • DTXSID30650274
    • 1-(4,6-Dimethylpyrimidin-2-yl)methanamine x2hcl
    • AKOS000300497
    • DA-18084
    • SCHEMBL1631564
    • CS-0280655
    • EN300-256620
    • MDL: MFCD03011604
    • Inchi: 1S/C7H11N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,4,8H2,1-2H3
    • InChI Key: JBZOSEGGQJXUQN-UHFFFAOYSA-N
    • SMILES: N1C(C)=CC(C)=NC=1CN

Computed Properties

  • Exact Mass: 137.095297364g/mol
  • Monoisotopic Mass: 137.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 95
  • 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: -0.1
  • Topological Polar Surface Area: 51.8?2

(4,6-Dimethylpyrimidin-2-yl)methanamine Pricemore >>

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Additional information on (4,6-Dimethylpyrimidin-2-yl)methanamine

Recent Advances in the Application of (4,6-Dimethylpyrimidin-2-yl)methanamine (CAS: 446829-97-6) in Chemical Biology and Pharmaceutical Research

The compound (4,6-Dimethylpyrimidin-2-yl)methanamine, with the CAS number 446829-97-6, has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic amine derivative is increasingly recognized for its potential as a versatile building block in medicinal chemistry and drug discovery. Recent studies have explored its applications in the synthesis of novel bioactive molecules, particularly in the development of kinase inhibitors and antimicrobial agents.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the efficacy of (4,6-Dimethylpyrimidin-2-yl)methanamine derivatives as selective inhibitors of cyclin-dependent kinases (CDKs). The research team developed a series of compounds showing nanomolar potency against CDK2 and CDK9, with improved selectivity profiles compared to existing inhibitors. The 4,6-dimethylpyrimidine scaffold was found to contribute significantly to the binding affinity through optimal hydrophobic interactions with the kinase ATP-binding pocket.

In antimicrobial research, a recent publication in Bioorganic & Medicinal Chemistry Letters (2024) reported the synthesis and evaluation of (4,6-Dimethylpyrimidin-2-yl)methanamine-containing compounds against multidrug-resistant bacterial strains. Several derivatives exhibited potent activity against methicillin-resistant Staphylococcus aureus (MRSA) with MIC values in the range of 1-4 μg/mL. The study highlighted the importance of the methyl substituents at the 4 and 6 positions for maintaining antimicrobial activity while reducing cytotoxicity.

From a synthetic chemistry perspective, advances have been made in the efficient production of (4,6-Dimethylpyrimidin-2-yl)methanamine. A 2023 patent application (WO2023187654) disclosed an improved catalytic process for its synthesis, achieving yields above 85% with excellent purity. This development is particularly significant for scaling up production for pharmaceutical applications.

Recent computational studies have provided deeper insights into the molecular interactions of this compound. Molecular docking and dynamics simulations published in the Journal of Chemical Information and Modeling (2024) revealed that (4,6-Dimethylpyrimidin-2-yl)methanamine derivatives can adopt multiple binding modes in protein targets, explaining their versatility in drug design. The studies also identified potential for further structural modifications to enhance target specificity.

In the field of chemical biology, researchers have utilized (4,6-Dimethylpyrimidin-2-yl)methanamine as a key component in the development of chemical probes. A notable application appeared in Nature Chemical Biology (2023), where the compound was incorporated into a fluorescent probe for monitoring protein kinase activity in live cells. The probe demonstrated superior photostability and cellular permeability compared to existing tools.

Looking forward, the unique properties of (4,6-Dimethylpyrimidin-2-yl)methanamine position it as a promising scaffold for addressing current challenges in drug discovery, particularly in the development of targeted therapies and overcoming drug resistance. Ongoing research is exploring its potential in PROTAC (proteolysis targeting chimera) design and as a component of covalent inhibitors. The compound's versatility and the recent methodological advances in its application suggest it will remain an important focus of chemical biology and pharmaceutical research in the coming years.

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