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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)NC(=O)N4C)O |
|---|---|
| IUPAC Name | 7-hydroxy-1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione |
| InChIKey | OUDDTBCYLIQSAN-UHFFFAOYSA-N |
| INCHI | 1S/C16H17N5O3/c1-9-3-5-10(6-4-9)20-7-11(22)8-21-12-13(17-15(20)21)19(2)16(24)18-14(12)23/h3-6,11,22H,7-8H2,1-2H3,(H,18,23,24) |
| Peso molecular | 327.34 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Alkyldiarylamines |
| Alternative Parents | Xanthines 6-oxopurines Alkaloids and derivatives Aniline and substituted anilines Toluenes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyldiarylamine - Xanthine - 6-oxopurine - Purinone - Purine - Imidazopyrimidine - Alkaloid or derivatives - Aniline or substituted anilines - Pyrimidone - Toluene - Benzenoid - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Lactam - Urea - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group. |
| External Descriptors | Not available |
| Peso molecular | 327.340 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 327.133 Da |
| Monoisotopic Mass | 327.133 Da |
| Topological Polar Surface Area | 90.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 536.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![7-hydroxy-1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione , CAS No.77350-99-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)