≥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 | CN1C(=O)C(=CN(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
|---|---|
| IUPAC Name | 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile |
| InChIKey | ABPPDADGZJPTTR-UHFFFAOYSA-N |
| INCHI | 1S/C14H11ClF3N5O2/c1-22-12(24)8(5-19)7-23(13(22)25)3-2-20-11-10(15)4-9(6-21-11)14(16,17)18/h4,6-7H,2-3H2,1H3,(H,20,21) |
| Isomeric SMILES | CN1C(=O)C(=CN(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
| PubChem CID | 5093809 |
| Molecular Weight | 373.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Pyrimidones |
| Alternative Parents | Aminopyridines and derivatives Aryl chlorides Hydropyrimidines Imidolactams Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Organochlorides Alkyl fluorides Organofluorides Organooxygen compounds Organic oxides Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyridine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Carbonitrile - Nitrile - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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 |
| Molecular Weight | 373.720 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 373.055 Da |
| Monoisotopic Mass | 373.055 Da |
| Topological Polar Surface Area | 89.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 630.000 |
| 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)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile - ≥90% CAS No(338770-14-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C965929.jpg)