≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CN(CC2=CN=C(N=C21)N)C3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine |
| InChIKey | FJFXKJLCRHRVIH-UHFFFAOYSA-N |
| INCHI | 1S/C13H11ClF3N5/c14-9-3-8(13(15,16)17)5-19-11(9)22-2-1-10-7(6-22)4-20-12(18)21-10/h3-5H,1-2,6H2,(H2,18,20,21) |
| Isomeric SMILES | C1CN(CC2=CN=C(N=C21)N)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| PubChem CID | 2773911 |
| Molecular Weight | 329.71 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Dialkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Dialkylarylamine - Aminopyridine - Aminopyrimidine - Aryl chloride - Imidolactam - Pyrimidine - Pyridine - Aryl halide - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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 |
| Melt Point(°C) | 200-202 |
|---|---|
| Molecular Weight | 329.710 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 329.066 Da |
| Monoisotopic Mass | 329.066 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |
![6-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine - ≥95% , CAS No.338979-12-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)