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.
| Sonrisas canónicas | CC1CCN(CC1)CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-morpholin-4-ylethyl)purine-2,6-dione |
| InChIKey | YELNRVHIBSNVLP-UHFFFAOYSA-N |
| INCHI | 1S/C20H32N6O3/c1-15-4-6-25(7-5-15)14-16-21-18-17(19(27)23(3)20(28)22(18)2)26(16)9-8-24-10-12-29-13-11-24/h15H,4-14H2,1-3H3 |
| Peso molecular | 404.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | 6-oxopurines Alkaloids and derivatives Aralkylamines Pyrimidones Morpholines N-substituted imidazoles Piperidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aralkylamine - Morpholine - N-substituted imidazole - Oxazinane - Piperidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | Not available |
| Peso molecular | 404.500 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 404.254 Da |
| Monoisotopic Mass | 404.254 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 605.000 |
| 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 |
