≥97% 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 | CCSC1=NC(=C2C=NN(C2=N1)CCN)NCC(C)C |
|---|---|
| IUPAC Name | 1-(2-aminoethyl)-6-ethylsulfanyl-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| InChIKey | KDVCHLVODCPKQI-UHFFFAOYSA-N |
| INCHI | 1S/C13H22N6S/c1-4-20-13-17-11(15-7-9(2)3)10-8-16-19(6-5-14)12(10)18-13/h8-9H,4-7,14H2,1-3H3,(H,15,17,18) |
| Molecular Weight | 294.420 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[3,4-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-d]pyrimidines |
| Alternative Parents | 2-arylethylamines Secondary alkylarylamines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-d]pyrimidine - Aryl thioether - 2-arylethylamine - Aminopyrimidine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 294.420 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 294.163 Da |
| Monoisotopic Mass | 294.163 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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-aminoethyl)-6-(ethylthio)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine - ≥97% CAS No(1105197-87-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/9/A968098.jpg)