≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | COCCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)F |
|---|---|
| IUPAC Name | 3-amino-5-[2-(2-methoxyethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one |
| InChIKey | TUMYQRZCVIQKOQ-UHFFFAOYSA-N |
| INCHI | 1S/C22H19F3N6O3/c1-33-10-9-27-21-29-15(12-5-7-13(8-6-12)22(23,24)25)11-17(30-21)34-16-4-2-3-14-18(16)31-19(26)20(32)28-14/h2-8,11H,9-10H2,1H3,(H2,26,31)(H,28,32)(H,27,29,30) |
| Isomeric SMILES | COCCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)F |
| Molecular Weight | 472.42 |
| Reaxy-Rn | 18611083 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18611083&ln= |
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 | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Diarylethers Trifluoromethylbenzenes Quinoxalines Phenol ethers Aminopyrazines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyrimidine - Diaryl ether - Diazanaphthalene - Trifluoromethylbenzene - Quinoxaline - Phenol ether - Aminopyrazine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Lactam - Dialkyl ether - Ether - Azacycle - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 23.62, Max Conc. mM: 50 |
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