≥95% 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 | C1C2=C(C(=O)N1CC3=CC=CC=C3)NC(=O)NC2=O |
|---|---|
| IUPAC Name | 6-benzyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4,7-trione |
| InChIKey | ILMDMEXCJKULNN-UHFFFAOYSA-N |
| INCHI | 1S/C13H11N3O3/c17-11-9-7-16(6-8-4-2-1-3-5-8)12(18)10(9)14-13(19)15-11/h1-5H,6-7H2,(H2,14,15,17,19) |
| Isomeric SMILES | C1C2=C(C(=O)N1CC3=CC=CC=C3)NC(=O)NC2=O |
| PubChem CID | 254620 |
| Molecular Weight | 257.24 |
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 | 2-heteroaryl carboxamides Pyrimidones Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - 2-heteroaryl carboxamide - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Urea - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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 | 257.240 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.08 Da |
| Monoisotopic Mass | 257.08 Da |
| Topological Polar Surface Area | 78.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one - ≥95% , CAS No.19068-66-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)