Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| ALogP | -0.5 |
|---|
| Canonical Smiles | CC1=C(N=C(NC1=O)C)O |
|---|---|
| IUPAC Name | 4-hydroxy-2,5-dimethyl-1H-pyrimidin-6-one |
| InChIKey | PLDSMEIYCNSPIC-UHFFFAOYSA-N |
| INCHI | 1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h1-2H3,(H2,7,8,9,10) |
| Isomeric SMILES | CC1=C(N=C(NC1=O)C)O |
| PubChem CID | 237015 |
| Molecular Weight | 140.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Hydroxypyrimidines |
| Alternative Parents | Pyrimidones Hydropyrimidines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous acid - 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 hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. 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 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 140.140 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 140.059 Da |
| Monoisotopic Mass | 140.059 Da |
| Topological Polar Surface Area | 61.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 |