Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 488202938 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202938 |
| Canonical Smiles | COC1=NC2=C(C=CN2)C(=O)N1 |
| IUPAC Name | 2-methoxy-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
| InChIKey | VBKWGPQGJOITCT-UHFFFAOYSA-N |
| INCHI | 1S/C7H7N3O2/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11) |
| Isomeric SMILES | COC1=NC2=C(C=CN2)C(=O)N1 |
| Molecular Weight | 165.15 |
| Reaxy-Rn | 4180364 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4180364&ln= |
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 |
| Class | Pyrrolopyrimidines |
| Subclass | Pyrrolo[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,3-d]pyrimidines |
| Alternative Parents | Pyrimidones Alkyl aryl ethers Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Alkyl aryl ether - Pyrimidone - Pyrimidine - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 10, 2025 | H337252 | |
| Certificate of Analysis | Dec 10, 2025 | H337252 | |
| Certificate of Analysis | Dec 10, 2025 | H337252 | |
| Certificate of Analysis | Dec 10, 2025 | H337252 | |
| Certificate of Analysis | Dec 10, 2025 | H337252 | |
| Certificate of Analysis | Dec 10, 2025 | H337252 |
| Solubility | Soluble in DMF and Hot Methanol |
|---|---|
| Melt Point(°C) | >250°C (lit.)(dec.) |
| Molecular Weight | 165.150 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 165.054 Da |
| Monoisotopic Mass | 165.054 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| 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 |