Cas no 1268492-93-8 ((1S)-1-pyrimidin-2-ylethanamine)

(1S)-1-Pyrimidin-2-ylethanamine is a chiral amine derivative featuring a pyrimidine ring, a structure of significant interest in pharmaceutical and agrochemical applications. Its stereospecific (S)-configuration enhances selectivity in asymmetric synthesis, making it a valuable intermediate for the development of biologically active compounds. The pyrimidine moiety offers versatile reactivity, enabling functionalization at multiple sites for tailored molecular design. This compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Its well-defined chirality is particularly advantageous for producing enantiomerically pure therapeutics or catalysts. Suitable for use in medicinal chemistry and material science, (1S)-1-pyrimidin-2-ylethanamine serves as a key building block for researchers requiring precise stereochemical control.
(1S)-1-pyrimidin-2-ylethanamine structure
1268492-93-8 structure
Product Name:(1S)-1-pyrimidin-2-ylethanamine
CAS No:1268492-93-8
MF:C6H9N3
MW:123.155760526657
CID:4817761
PubChem ID:55297727
Update Time:2026-02-27

(1S)-1-pyrimidin-2-ylethanamine Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(Pyrimidin-2-yl)ethanamine
    • (AlphaS)-alpha-methyl-2-pyrimidinemethanamine
    • (1S)-1-pyrimidin-2-ylethanamine
    • Inchi: 1S/C6H9N3/c1-5(7)6-8-3-2-4-9-6/h2-5H,7H2,1H3/t5-/m0/s1
    • InChI Key: GVPDKCZQAZOFJX-YFKPBYRVSA-N
    • SMILES: N[C@@H](C)C1N=CC=CN=1

Computed Properties

  • Exact Mass: 123.079647300g/mol
  • Monoisotopic Mass: 123.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 78.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 51.8

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(1S)-1-pyrimidin-2-ylethanamine Related Literature

Additional information on (1S)-1-pyrimidin-2-ylethanamine

Chemical Profile of (1S)-1-pyrimidin-2-ylethanamine (CAS No. 1268492-93-8)

(1S)-1-pyrimidin-2-ylethanamine, identified by its CAS number 1268492-93-8, is a significant compound in the realm of pharmaceutical and biochemical research. This chiral amine derivative has garnered attention due to its structural uniqueness and potential applications in drug development. The pyrimidine moiety, a central heterocyclic aromatic ring system, is a common structural motif in biologically active molecules, making this compound a promising candidate for further investigation.

The stereochemistry of (1S)-1-pyrimidin-2-ylethanamine is particularly noteworthy, as the (1S) configuration suggests a specific spatial arrangement of atoms that can influence its interactions with biological targets. In the context of modern drug design, such stereochemical precision is crucial for achieving optimal pharmacological activity while minimizing side effects. The compound's structure combines the versatility of the pyrimidine ring with the functional diversity of an amine group, positioning it as a versatile building block for synthetic chemists.

Recent advancements in computational chemistry have enabled more accurate predictions of the biological behavior of molecules like (1S)-1-pyrimidin-2-ylethanamine. Molecular docking studies have been employed to explore its potential binding interactions with various enzymes and receptors. These simulations have revealed that the compound exhibits favorable binding affinities with several targets relevant to therapeutic intervention, including kinases and transcription factors. Such findings underscore its potential as a lead compound in the development of novel therapeutic agents.

The synthesis of (1S)-1-pyrimidin-2-ylethanamine presents unique challenges due to its complex stereochemistry. Traditional synthetic routes often require careful optimization to ensure high enantiomeric purity. However, recent innovations in asymmetric synthesis have provided more efficient methods for constructing chiral centers. These advancements not only improve yield but also enhance scalability, making it more feasible to produce sufficient quantities for preclinical and clinical studies.

In the field of medicinal chemistry, the integration of machine learning algorithms has revolutionized the process of identifying promising drug candidates. By analyzing vast datasets of chemical structures and their biological activities, these algorithms can predict the potential efficacy of compounds like (1S)-1-pyrimidin-2-ylethanamine. This approach has accelerated the discovery pipeline, allowing researchers to focus on the most promising molecules with greater confidence.

The pyrimidine scaffold is well-documented for its role in numerous pharmacologically active compounds. Its ability to interact with biological systems through hydrogen bonding and other non-covalent interactions makes it an ideal platform for drug design. The amine group in (1S)-1-pyrimidin-2-ylethanamine further enhances its potential by providing a site for functionalization, enabling the creation of derivatives with tailored properties.

Preclinical studies have begun to explore the pharmacological profile of (1S)-1-pyrimidin-2-ylethanamine. Initial results suggest that it exhibits moderate activity against certain disease-related targets, warranting further investigation into its therapeutic potential. These studies also highlight its safety profile, indicating that it does not exhibit significant toxicity at tested doses. Such findings are encouraging for researchers looking to develop new treatments based on this compound.

The future direction of research on (1S)-1-pyrimidin-2-ylethanamine includes exploring its mechanism of action in greater detail. Understanding how this compound interacts with biological targets at a molecular level will provide insights into its therapeutic effects and help guide subsequent modifications for improved efficacy. Additionally, investigating its metabolic pathways will be crucial for assessing its bioavailability and potential side effects.

The development of novel pharmaceuticals relies heavily on collaboration between synthetic chemists, biologists, and clinicians. The interdisciplinary nature of this work ensures that compounds like (1S)-1-pyrimidin-2-ylethanamine are not only synthesized efficiently but also validated for their clinical utility. As research continues to evolve, it is expected that this compound will play a significant role in addressing unmet medical needs.

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