5-Cyanouracil - CAS 4425-56-3
Catalog: |
BB025552 |
Product Name: |
5-Cyanouracil |
CAS: |
4425-56-3 |
Synonyms: |
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-; 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarbonitrile; 2,4(1H,3H)-Pyrimidinedione, 5-cyano-; 2,4-Dihydroxypyrimidine-5-carbonitrile; 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile; 2-Hydroxy-4-oxo-1,4-dihydropyrimidine-5-carbonitrile; NSC 12931; NSC 44192; NSC 667760; Uracil-5-carbonitrile |
Related CAS: | 5428-41-1 (Deleted CAS)
|
IUPAC Name: | 2,4-dioxo-1H-pyrimidine-5-carbonitrile |
Molecular Weight: | 137.10 |
Molecular Formula: | C5H3N3O2 |
Canonical SMILES: | C1=C(C(=O)NC(=O)N1)C#N |
InChI: | InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10) |
InChI Key: | HAUXRJCZDHHADG-UHFFFAOYSA-N |
Boiling Point: | 388.5±42.0°C at 760 mmHg |
Melting Point: | 295°C (dec.) |
Purity: | ≥95% |
Density: | 1.52±0.1 g/cm3 |
Appearance: | White to Orange to Green Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00128255 |
LogP: | -1.06512 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112250879-A | Method for synthesizing ginkgo leaf polyprenol metal complex with light-operated activity | 20201020 |
CN-108358854-A | A kind of preparation method of pharmaceutical intermediate 5- cyanouracils | 20180322 |
AU-2018270111-A1 | Polynucleotides encoding tethered interleukin-12 (IL12) polypeptides and uses thereof | 20170518 |
CA-3063723-A1 | Polynucleotides encoding tethered interleukin-12 (il12) polypeptides and uses thereof | 20170518 |
EP-3625246-A1 | Polynucleotides encoding tethered interleukin-12 (il12) polypeptides and uses thereof | 20170518 |
PMID | Publication Date | Title | Journal |
21879748 | 20111003 | [Ru(bpy)2(5-cyanouracil)2]2+ as a potential light-activated dual-action therapeutic agent | Inorganic chemistry |
21684845 | 20110601 | Synthesis and antimicrobial evaluation of some 6-aryl-5-cyano-2-thiouracil derivatives | Acta pharmaceutica (Zagreb, Croatia) |
19156796 | 20090101 | Metal-ion selectivity of chemically modified uracil pairs in DNA duplexes | Angewandte Chemie (International ed. in English) |
19749238 | 20090101 | Metal ion binding of modified pyrimidine-base pairs in DNA duplexes | Nucleic acids symposium series (2004) |
16431122 | 20060515 | A multi-component reaction to 5-cyanouracils: synthesis and mechanistic study | Bioorganic & medicinal chemistry |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.022526347 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.022526347 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 82 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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