Cas no 943995-31-1 (4-amino-2-chloro-5-pyrimidinol)

4-Amino-2-chloro-5-pyrimidinol is a heterocyclic organic compound featuring a pyrimidine core substituted with amino, chloro, and hydroxyl functional groups. This structure imparts reactivity suitable for use as an intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple functional groups allows for selective modifications, making it valuable in the development of active ingredients and fine chemicals. Its stability under standard conditions ensures consistent performance in synthetic applications. The compound is particularly useful in nucleoside and nucleotide chemistry, where its structural motifs can be leveraged for further derivatization. High purity grades are available to meet stringent research and industrial requirements.
4-amino-2-chloro-5-pyrimidinol structure
943995-31-1 structure
Product Name:4-amino-2-chloro-5-pyrimidinol
CAS No:943995-31-1
MF:C4H4ClN3O
MW:145.547059059143
MDL:MFCD24627626
CID:2114195
PubChem ID:86634908
Update Time:2025-06-30

4-amino-2-chloro-5-pyrimidinol Chemical and Physical Properties

Names and Identifiers

    • 4-amino-2-chloro-5-Pyrimidinol
    • 4-Amino-2-chloropyrimidin-5-ol
    • 4-Amino-2-chloro-5-hydroxypyrimidine
    • VNMOXVXRYNMFCI-UHFFFAOYSA-N
    • 5-Pyrimidinol,4-amino-2-chloro-
    • 5-Pyrimidinol, 4-amino-2-chloro-
    • SY046155
    • DA-21464
    • 943995-31-1
    • MFCD24627626
    • SCHEMBL1335077
    • BCP32774
    • AC7385
    • EN300-266275
    • CS-0458911
    • SB57639
    • AKOS037629650
    • 4-amino-2-chloro-5-pyrimidinol
    • MDL: MFCD24627626
    • Inchi: 1S/C4H4ClN3O/c5-4-7-1-2(9)3(6)8-4/h1,9H,(H2,6,7,8)
    • InChI Key: VNMOXVXRYNMFCI-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(C(N)=N1)O

Computed Properties

  • Exact Mass: 145.0042895g/mol
  • Monoisotopic Mass: 145.0042895g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 102
  • 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: 72
  • XLogP3: 0.5

4-amino-2-chloro-5-pyrimidinol Pricemore >>

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Additional information on 4-amino-2-chloro-5-pyrimidinol

Introduction to 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) and Its Emerging Applications in Chemical Biology

4-amino-2-chloro-5-pyrimidinol, identified by the Chemical Abstracts Service Number (CAS No.) 943995-31-1, is a heterocyclic compound that has garnered significant attention in the field of chemical biology due to its versatile structural framework and potential biological activities. This pyrimidine derivative, characterized by an amino group at the 4-position, a chlorine substituent at the 2-position, and a hydroxyl group at the 5-position, exhibits unique chemical properties that make it a valuable scaffold for the development of novel pharmaceuticals and agrochemicals.

The molecular structure of 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) imparts distinct reactivity, enabling its participation in various chemical transformations such as nucleophilic substitution, condensation reactions, and metal coordination. These properties have been exploited in synthetic chemistry to develop complex molecules with targeted biological functions. The compound’s ability to interact with biological targets has positioned it as a promising candidate for further investigation in drug discovery and material science.

In recent years, the interest in 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) has been fueled by its potential applications in medicinal chemistry. Pyrimidine derivatives are well-documented for their role in modulating various biological pathways, including DNA replication, transcription, and enzyme inhibition. The presence of both amino and hydroxyl functional groups on the pyrimidine ring enhances the compound’s versatility, allowing for selective modifications that can fine-tune its biological activity. This has led to its exploration as a precursor in the synthesis of kinase inhibitors, antimicrobial agents, and anticancer drugs.

One of the most compelling aspects of 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) is its utility as a building block in fragment-based drug design. Fragment-based approaches leverage small molecules with known bioactivity to identify lead compounds through iterative optimization. The structural features of this compound make it an ideal candidate for generating libraries of diverse analogs, which can then be screened for enhanced potency and selectivity against specific disease targets. Recent studies have demonstrated its incorporation into scaffolds that exhibit inhibitory effects on protein kinases implicated in cancer progression.

The synthetic accessibility of 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) has also contributed to its popularity among researchers. Efficient synthetic routes have been developed that allow for scalable production of this compound, facilitating both academic research and industrial applications. These methods often involve multi-step organic transformations starting from commercially available precursors, ensuring cost-effectiveness and reproducibility.

Advances in computational chemistry have further enhanced the utility of 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) by enabling virtual screening and molecular docking studies. These computational techniques help predict the binding interactions between the compound and potential biological targets, thereby accelerating the drug discovery process. By integrating experimental data with computational models, researchers can optimize the structure of 4-amino-2-chloro-5-pyrimidinol derivatives to improve their pharmacokinetic profiles and therapeutic efficacy.

The versatility of 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) extends beyond pharmaceutical applications into materials science. Its ability to form coordination complexes with transition metals has been explored for developing catalysts and luminescent materials. These metal complexes exhibit unique electronic properties that can be harnessed for applications such as photodynamic therapy and sensors.

In conclusion, 4-amino-2-chloro-5-pyrimidinol (CAS No. 943995-31-1) represents a structurally intriguing compound with broad potential applications in chemical biology and beyond. Its unique reactivity, synthetic accessibility, and biological relevance make it a cornerstone in modern drug discovery efforts. As research continues to uncover new methodologies for modifying and utilizing this scaffold, its importance is expected to grow further, driving innovation across multiple scientific disciplines.

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