≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCl)N |
|---|---|
| IUPAC Name | N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-chloro-N-(2-methoxyethyl)acetamide |
| InChIKey | PIIWKPPJQCZCAO-UHFFFAOYSA-N |
| INCHI | 1S/C13H21ClN4O4/c1-8(2)7-18-11(15)10(12(20)16-13(18)21)17(4-5-22-3)9(19)6-14/h8H,4-7,15H2,1-3H3,(H,16,20,21) |
| Molecular Weight | 332.780 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Pyrimidones |
| Alternative Parents | Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Chloroacetamides Heteroaromatic compounds Ureas Amino acids and derivatives Lactams Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organopnictogen compounds Primary amines Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Pyrimidone - Hydropyrimidine - Chloroacetamide - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Urea - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl chloride - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen 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 |
| Molecular Weight | 332.780 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 332.125 Da |
| Monoisotopic Mass | 332.125 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| 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 |
