Pyrimidine - CAS 289-95-2
Catalog: |
BB020041 |
Product Name: |
Pyrimidine |
CAS: |
289-95-2 |
Synonyms: |
pyrimidine |
IUPAC Name: | pyrimidine |
Description: | Pyrimidine (CAS# 289-95-2) is a heterocyclic organic molecule present in many pharmaceutical and naturally derived compounds. Used in the synthesis and discovery of antiviral medication, such as in the CASe of HIV and HSV. Also used in the synthesis of potent inhibitors of 15-lipoxygenase in the reduction of the release of leukotrienes. |
Molecular Weight: | 80.09 |
Molecular Formula: | C4H4N2 |
Canonical SMILES: | C1=CN=CN=C1 |
InChI: | InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H |
InChI Key: | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
Boiling Point: | 123-124 °C |
Melting Point: | 20-22 °C |
Purity: | 98 % |
Density: | 1.016 g/cm3 |
Solubility: | 1000 mg/mL at 25 °C |
Appearance: | Liquid |
Storage: | Flammables area |
LogP: | 0.47660 |
Vapor Pressure: | 12.9 [mmHg] |
GHS Hazard Statement: | H226 (98.31%): Flammable liquid and vapor [Warning Flammable liquids]; H318 (23.73%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016083365-A1 | Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors | 20140919 |
US-2015376505-A1 | Polymerizable compound having triple bond, liquid crystal composition and liquid crystal display device | 20140627 |
WO-2015197860-A2 | Novel thapsigargin analogues and methods of preparing them | 20140627 |
WO-2015197468-A1 | Herbicidal propynyl-phenyl compounds | 20140626 |
WO-2015197188-A1 | Pyrazolyl-based carboxamides as crac inhibitors | 20140624 |
PMID | Publication Date | Title | Journal |
34212719 | 20210722 | An Alkynylpyrimidine-Based Covalent Inhibitor That Targets a Unique Cysteine in NF-κB-Inducing Kinase | Journal of medicinal chemistry |
33325755 | 20201201 | Metabolomic and Transcriptomic Analysis of MCF-7 Cells Exposed to 23 Chemicals at Human-Relevant Levels: Estimation of Individual Chemical Contribution to Effects | Environmental health perspectives |
32835833 | 20201015 | Comprehensive analysis of transcriptomics and metabolomics to understand triptolide-induced liver injury in mice | Toxicology letters |
32519852 | 20200720 | Integrated Proteomics and Metabolomics Reveal the Mechanism of Nephrotoxicity Induced by Triptolide | Chemical research in toxicology |
32248693 | 20200514 | Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria | Journal of medicinal chemistry |
Complexity: | 32.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 80.03744813600001 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 80.03744813600001 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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