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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC=C(C=C4)OC |
|---|---|
| IUPAC Name | 9-(4-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione |
| InChIKey | WLPHFAWNPAPAMW-UHFFFAOYSA-N |
| INCHI | 1S/C17H19N5O3/c1-10-8-21(11-4-6-12(25-3)7-5-11)16-18-14-13(22(16)9-10)15(23)19-17(24)20(14)2/h4-7,10H,8-9H2,1-3H3,(H,19,23,24) |
| Peso molecular | 341.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Pyrimidones Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyldiarylamine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Methoxyaniline - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Lactam - Urea - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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 | 341.400 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 341.149 Da |
| Monoisotopic Mass | 341.149 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 550.000 |
| 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 |
![9-(4-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione , CAS No.714941-60-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)