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.
| ALogP | 3.8 |
|---|
| Canonical Smiles | CC1(C2=C(NC1=O)N=CN=C2N3CCC(CC3)C4=C(C=CC(=N4)C5=NN=C(C5)C(F)(F)F)NCCNC(C)(C)C)C |
|---|---|
| IUPAC Name | 4-[4-[3-[2-(tert-butylamino)ethylamino]-6-[5-(trifluoromethyl)-4H-pyrazol-3-yl]pyridin-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one |
| InChIKey | UVKWCPOZHXNKAZ-UHFFFAOYSA-N |
| INCHI | 1S/C28H36F3N9O/c1-26(2,3)35-11-10-32-18-7-6-17(19-14-20(39-38-19)28(29,30)31)36-22(18)16-8-12-40(13-9-16)24-21-23(33-15-34-24)37-25(41)27(21,4)5/h6-7,15-16,32,35H,8-14H2,1-5H3,(H,33,34,37,41) |
| Isomeric SMILES | CC1(C2=C(NC1=O)N=CN=C2N3CCC(CC3)C4=C(C=CC(=N4)C5=NN=C(C5)C(F)(F)F)NCCNC(C)(C)C)C |
| PubChem CID | 156009451 |
| Molecular Weight | 571.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Polyhalopyridines N-arylamides Dialkylarylamines Secondary alkylarylamines Methylpyridines Aminopyrimidines and derivatives 2-halopyridines Piperidines Imidolactams Pyrroles Heteroaromatic compounds Lactams Amino acids and derivatives Dialkylamines Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - Polyhalopyridine - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - 2-halopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Pyrimidine - Pyridine - Piperidine - Heteroaromatic compound - Pyrrole - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - 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 |
![4-[4-[3-[2-(tert-butylamino)ethylamino]-6-[5-(trifluoromethyl)-4H-pyrazol-3-yl]pyridin-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one - CAS No(156009451) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/6/T671372.jpg)