≥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.
| Sonrisas canónicas | CN1C=C(C2=C1N=CN=C2OC)Br |
|---|---|
| IUPAC Name | 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine |
| InChIKey | IKFLTSHIUZFYDM-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrN3O/c1-12-3-5(9)6-7(12)10-4-11-8(6)13-2/h3-4H,1-2H3 |
| Isómeros SMILES | CN1C=C(C2=C1N=CN=C2OC)Br |
| PubChem CID | 71299223 |
| Peso molecular | 242.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolopyrimidines |
| Subclass | Pyrrolo[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,3-d]pyrimidines |
| Alternative Parents | Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-methylpyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Alkyl aryl ether - Aryl bromide - Aryl halide - N-methylpyrrole - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. |
| External Descriptors | Not available |
| Peso molecular | 242.070 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.985 Da |
| Monoisotopic Mass | 240.985 Da |
| Topological Polar Surface Area | 39.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |
![5-bromo-4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine - ≥95% , CAS No.1393845-84-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)