≥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 | C1=C(C2=C(N1)C(=O)NC(=O)N2)Br |
|---|---|
| IUPAC Name | 7-bromo-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione |
| InChIKey | VGTQTXDPTYNVJJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H4BrN3O2/c7-2-1-8-4-3(2)9-6(12)10-5(4)11/h1,8H,(H2,9,10,11,12) |
| Molecular Weight | 230.02 |
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 | Pyrimidones Substituted pyrroles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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 | 230.020 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 228.949 Da |
| Monoisotopic Mass | 228.949 Da |
| Topological Polar Surface Area | 74.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| 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 |
![7-Bromo-1h-pyrrolo[3,2-d]pyrimidine-2,4(3h,5h)-dione - ≥97% , CAS No.20419-74-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)