≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488189021 |
|---|---|
| Canonical Smiles | CC1=NC=CC(=O)N1 |
| IUPAC Name | 2-methyl-1H-pyrimidin-6-one |
| InChIKey | QWIDYOLZFAQBOB-UHFFFAOYSA-N |
| INCHI | 1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3H,1H3,(H,6,7,8) |
| Isomeric SMILES | CC1=NC=CC(=O)N1 |
| Molecular Weight | 110.11 |
| Reaxy-Rn | 108414 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108414&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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Hydropyrimidines Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2623082 | Certificate of Analysis | Apr 01, 2026 | M191883 |
| D2321510 | Certificate of Analysis | Feb 04, 2026 | M191883 |
| L2101470 | Certificate of Analysis | Sep 14, 2024 | M191883 |
| L2101471 | Certificate of Analysis | Sep 14, 2024 | M191883 |
| L2101473 | Certificate of Analysis | Sep 14, 2024 | M191883 |
| L2101474 | Certificate of Analysis | Sep 14, 2024 | M191883 |
| Molecular Weight | 110.110 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 110.048 Da |
| Monoisotopic Mass | 110.048 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
| 1. Yuwei Wu, Shumin Zhu, Yangtao Wu, Lingjun Bu, Shiqing Zhou, Naiyun Gao, Wenhai Chu. (2026) Amide heterocyclic disinfection byproducts with overlooked disinfectant capacity during chlorination. WATER RESEARCH, [PMID:41633113] [10.1016/j.watres.2026.125459] |
