≥97% 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 | C1COCCC1N2C3=NC(=NC=C3C=N2)Cl |
|---|---|
| IUPAC Name | 6-chloro-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine |
| InChIKey | CULQQOSGINDMJW-UHFFFAOYSA-N |
| INCHI | 1S/C10H11ClN4O/c11-10-12-5-7-6-13-15(9(7)14-10)8-1-3-16-4-2-8/h5-6,8H,1-4H2 |
| Isomeric SMILES | C1COCCC1N2C3=NC(=NC=C3C=N2)Cl |
| PubChem CID | 97181160 |
| Molecular Weight | 238.67 |
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 | Pyrazolopyrimidines |
| Subclass | Pyrazolo[3,4-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-d]pyrimidines |
| Alternative Parents | 2-halopyrimidines Oxanes Aryl chlorides Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-d]pyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Oxane - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Ether - Dialkyl ether - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - 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 | 238.670 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 238.062 Da |
| Monoisotopic Mass | 238.062 Da |
| Topological Polar Surface Area | 52.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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-Chloro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidine - ≥97% , CAS No.1443286-90-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)