2 Citations
Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | 5-fluoro-1,3-dimethylpyrimidine-2,4(1H,3H)-dione | EU-0068355 | 5-Fluoro-1,3-dimethyluracil, 99% | SR-01000402018-1 | 5-fluoro-1,3-dimethylpyrimidine-2,4-dione | A899578 | 5-Fluoro-1,3-dimethyluracil | NSC379683 | NSC-379683 | SCHEMBL3189250 | DTXSID90321 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
Oxidation of 5-fluoro-1,3-dimethyluracil (5-FDMU) with m-chloroperbenzoic acid has been described. It is reported as antineoplastic drug. On photoirradiation, 5-fluoro-1,3-dimethyluracil yields the trans-anti cyclobutane dimer and the cis-syn cyclobutane dimer. UV irradiation of 5-FDMU and naphthalene in a protic medium affords 5-(1-naphthyl)uracil, while in aprotic media it undergoes stereoselective 1,4-cycloaddition reaction to give a barrelene derivative. The thermochemical parameters of 5-FDMU has been determined. It reacts with substituted benzenes in the presence of trifluoroacetic acid to generate 5-aryl-1,3-dimethyluracils via photosubstitution. Application： Regioselective synthesis of tetrahydronaphthocyclobuta[1,2-d]pyrimidinediones；To synthesize 5-bis(ethoxycarbonyl)methyl-1,3-dimethyluracil；To synthesize new highly conjugated propenylidene derivatives via aromatic Paterno-Buchi type cycloaddition with 1-methoxynaphthalene |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Diazines
-
Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Pyrimidones Hydropyrimidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
|
|
|
Associated Targets(Human)
CCRF-CEM (65223 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488189546 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189546 |
| IUPAC Name | 5-fluoro-1,3-dimethylpyrimidine-2,4-dione |
| INCHI | InChI=1S/C6H7FN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3 |
| InChIKey | DDEWVRFHURYTHA-UHFFFAOYSA-N |
| Smiles | CN1C=C(C(=O)N(C1=O)C)F |
| Isomeric SMILES | CN1C=C(C(=O)N(C1=O)C)F |
| WGK Germany | 3 |
| Molecular Weight | 158.13 |
| Reaxy-Rn | 880396 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880396&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2302199 |
Certificate of Analysis | Oct 13, 2022 | F339065 |
| B2302177 |
Certificate of Analysis | Oct 13, 2022 | F339065 |
| B2302176 |
Certificate of Analysis | Oct 13, 2022 | F339065 |
| F2524397 |
Certificate of Analysis | Oct 13, 2022 | F339065 |
Chemical and Physical Properties
| Molecular Weight | 158.130 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 158.049 Da |
| Monoisotopic Mass | 158.049 Da |
| Topological Polar Surface Area | 40.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
Solution Calculators
Reviews
Customer Reviews
Remind me later