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 | CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)N(C3=O)C)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione |
| InChIKey | YXAHAMYCBNCJDJ-UHFFFAOYSA-N |
| INCHI | 1S/C19H26N8O2S/c1-13-5-6-20-17(21-13)30-12-11-27-14-15(24(3)19(29)25(4)16(14)28)22-18(27)26-9-7-23(2)8-10-26/h5-6H,7-12H2,1-4H3 |
| Molecular Weight | 430.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Xanthines 6-oxopurines Alkaloids and derivatives Dialkylarylamines Alkylarylthioethers N-methylpiperazines Pyrimidones N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Trialkylamines Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Alkaloid or derivatives - Purine - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - N-alkylpiperazine - N-methylpiperazine - Aminoimidazole - Pyrimidine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 430.500 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 430.19 Da |
| Monoisotopic Mass | 430.19 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 646.000 |
| 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 |
