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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CO4)N(C(=O)N(C3=O)C)C |
|---|---|
| IUPAC Name | 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione |
| InChIKey | JLIYRAVCHMXEQJ-UHFFFAOYSA-N |
| INCHI | 1S/C20H21N5O3/c1-13-6-8-14(9-7-13)12-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)21-11-15-5-4-10-28-15/h4-10H,11-12H2,1-3H3,(H,21,22) |
| Molecular Weight | 379.4 |
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 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | 6-oxopurines Alkaloids and derivatives Toluenes Secondary alkylarylamines Pyrimidones Aminoimidazoles N-substituted imidazoles Vinylogous amides Furans Heteroaromatic compounds Lactams Ureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Secondary aliphatic/aromatic amine - Toluene - Benzenoid - Monocyclic benzene moiety - Aminoimidazole - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Furan - Imidazole - Urea - Lactam - Azacycle - Secondary amine - Oxacycle - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 379.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 379.164 Da |
| Monoisotopic Mass | 379.164 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 594.000 |
| 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 |
![8-[(2-furylmethyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione , CAS No.359902-00-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)