5-Nitrouracil - CAS 611-08-5
Catalog: |
BB030950 |
Product Name: |
5-Nitrouracil |
CAS: |
611-08-5 |
Synonyms: |
5-nitro-1H-pyrimidine-2,4-dione; 5-nitro-1H-pyrimidine-2,4-dione |
IUPAC Name: | 5-nitro-1H-pyrimidine-2,4-dione |
Description: | 5-Nitrouracil (CAS# 611-08-5) is a compound useful in organic synthesis. |
Molecular Weight: | 157.08 |
Molecular Formula: | C4H3N3O4 |
Canonical SMILES: | C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
InChI: | InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9) |
InChI Key: | TUARVSWVPPVUGS-UHFFFAOYSA-N |
Boiling Point: | 453.3 °C at 760 mmHg |
Density: | 1.7 g/cm3 |
MDL: | MFCD00006021 |
LogP: | -0.50540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021203033-A2 | Methods and compositions to alter hepatic gaba release to treat obesity-related conditions | 20200402 |
CN-113354589-A | Method for preparing 2,4-dichloro-5-nitropyrimidine | 20200306 |
KR-102125909-B1 | Water expansion polyurethane seal composition for reinforcing joints in waterproof sheets and complex waterproofing method using thereof | 20191219 |
US-2021107881-A1 | Anodic oxidation of 5-aminouracil | 20191010 |
WO-2021072159-A1 | Anodic oxidation of 5-aminouracil | 20191010 |
PMID | Publication Date | Title | Journal |
21888640 | 20110902 | Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil | Chemistry Central journal |
20017469 | 20100115 | Selective recognition of uracil and its derivatives using a DNA repair enzyme structural mimic | The Journal of organic chemistry |
19824457 | 20090801 | [Influence of the selected pyrimidine compounds on the activity of thymidine phosphorylase from normal and tumor endometrial cells] | Ginekologia polska |
20502540 | 20090701 | Co-crystals: a novel approach to modify physicochemical properties of active pharmaceutical ingredients | Indian journal of pharmaceutical sciences |
21202598 | 20080517 | N,N',N''-Triphenyl-guanidinium 5-nitro-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01235559 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01235559 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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