≥98% 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 | CS(=O)(=O)N1CCC2=C1N=C(N=C2Cl)N3CCOCC3 |
|---|---|
| IUPAC Name | 4-(4-chloro-7-methylsulfonyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine |
| InChIKey | YCIXFNRCKBRWSA-UHFFFAOYSA-N |
| INCHI | 1S/C11H15ClN4O3S/c1-20(17,18)16-3-2-8-9(12)13-11(14-10(8)16)15-4-6-19-7-5-15/h2-7H2,1H3 |
| Isomeric SMILES | CS(=O)(=O)N1CCC2=C1N=C(N=C2Cl)N3CCOCC3 |
| PubChem CID | 59628462 |
| Molecular Weight | 318.78 |
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 | Pyrrolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyrimidines |
| Alternative Parents | Dialkylarylamines Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Imidolactams Morpholines Organic sulfonamides Organosulfonamides Sulfonyls Heteroaromatic compounds Pyrroles Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrole - Sulfonyl - Tertiary amine - Dialkyl ether - Oxacycle - Azacycle - Ether - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one 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 |
| Molecular Weight | 318.780 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 318.055 Da |
| Monoisotopic Mass | 318.055 Da |
| Topological Polar Surface Area | 84.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 451.000 |
| 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 |
![4-(4-Chloro-7-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine - ≥98% , CAS No.1178564-27-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)