≥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 | C1CC2=CC=CC=C2C1NC3=NC=NC4=C3C=CN4 |
|---|---|
| IUPAC Name | N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| InChIKey | UVNSDOGOYDQGLY-ZDUSSCGKSA-N |
| INCHI | 1S/C15H14N4/c1-2-4-11-10(3-1)5-6-13(11)19-15-12-7-8-16-14(12)17-9-18-15/h1-4,7-9,13H,5-6H2,(H2,16,17,18,19)/t13-/m0/s1 |
| Isomeric SMILES | C1CC2=CC=CC=C2[C@H]1NC3=NC=NC4=C3C=CN4 |
| PubChem CID | 58944690 |
| Molecular Weight | 250.3 |
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 | Benzenoids |
| Class | Indanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanes |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Pyrroles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Indane - Pyrrolopyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Imidolactam - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 250.300 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.122 Da |
| Monoisotopic Mass | 250.122 Da |
| Topological Polar Surface Area | 53.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine - ≥98% , CAS No.905580-86-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)