≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 488202896 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202896 |
| Canonical Smiles | CC(C)C(=O)NC1=NC2=C(C(=O)N1)NC=N2 |
| IUPAC Name | 2-methyl-N-(6-oxo-1,7-dihydropurin-2-yl)propanamide |
| InChIKey | CFIBTBBTJWHPQV-UHFFFAOYSA-N |
| INCHI | 1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16) |
| Isomeric SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)NC=N2 |
| Molecular Weight | 221.22 |
| Reaxy-Rn | 7213702 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7213702&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 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | 6-oxopurines N-arylamides Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Hypoxanthine - N-arylamide - Pyrimidone - Pyrimidine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| 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 |
|---|---|---|---|
 F2305817 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305816 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305815 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305814 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305808 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305809 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305810 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305811 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305812 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| F2305813 | Certificate of Analysis | Mar 13, 2026 | N302774 |
| B2301058 | Certificate of Analysis | Nov 06, 2025 | N302774 |
| A2331905 | Certificate of Analysis | Nov 06, 2025 | N302774 |
| A2331902 | Certificate of Analysis | Nov 06, 2025 | N302774 |
| A2331898 | Certificate of Analysis | Nov 06, 2025 | N302774 |
| A2331897 | Certificate of Analysis | Nov 06, 2025 | N302774 |
| A2331895 | Certificate of Analysis | Oct 29, 2025 | N302774 |
| B2301076 | Certificate of Analysis | Oct 29, 2025 | N302774 |
| A2331896 | Certificate of Analysis | Oct 29, 2025 | N302774 |
| A2331893 | Certificate of Analysis | Oct 29, 2025 | N302774 |
| F2513111 | Certificate of Analysis | Apr 26, 2023 | N302774 |
| A2331904 | Certificate of Analysis | Feb 03, 2023 | N302774 |
| Molecular Weight | 221.220 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 221.091 Da |
| Monoisotopic Mass | 221.091 Da |
| Topological Polar Surface Area | 99.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
