≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(=O)NC(=O)N(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione |
| InChIKey | REEJVBFGMCHOHY-UHFFFAOYSA-N |
| INCHI | 1S/C12H10ClF3N4O3/c13-7-3-6(12(14,15)16)5-18-10(7)17-1-2-20-9(22)4-8(21)19-11(20)23/h3,5H,1-2,4H2,(H,17,18)(H,19,21,23) |
| Isomeric SMILES | C1C(=O)NC(=O)N(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl |
| PubChem CID | 2767258 |
| Molecular Weight | 350.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidones |
| Direct Parent | Barbituric acid derivatives |
| Alternative Parents | Secondary alkylarylamines Aminopyridines and derivatives N-acyl ureas 1,3-dicarbonyl compounds Aryl chlorides Diazinanes Imidolactams Dicarboximides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Barbiturate - Aminopyridine - N-acyl urea - Secondary aliphatic/aromatic amine - Ureide - Aryl chloride - Aryl halide - 1,3-diazinane - Pyridine - 1,3-dicarbonyl compound - Imidolactam - Heteroaromatic compound - Dicarboximide - Amino acid or derivatives - Urea - Carbonic acid derivative - Secondary amine - Azacycle - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Organochloride - Amine - Organofluoride - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. |
| External Descriptors | Not available |
| Molecular Weight | 350.680 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 350.039 Da |
| Monoisotopic Mass | 350.039 Da |
| Topological Polar Surface Area | 91.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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 |
![1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione - ≥90% CAS No(303153-09-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C981585.jpg)