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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCN5CCOCC5 |
|---|---|
| IUPAC Name | 1-methyl-9-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione |
| InChIKey | YLYASWQKXBYNBS-UHFFFAOYSA-N |
| INCHI | 1S/C22H28N6O3/c1-16-5-3-6-17(15-16)26-7-4-8-27-18-19(23-21(26)27)24(2)22(30)28(20(18)29)10-9-25-11-13-31-14-12-25/h3,5-6,15H,4,7-14H2,1-2H3 |
| Molecular Weight | 424.500 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | 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 Morpholines N-substituted imidazoles 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 | Alkyldiarylamine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Aniline or substituted anilines - Pyrimidone - Toluene - Monocyclic benzene moiety - Morpholine - Benzenoid - N-substituted imidazole - Oxazinane - Pyrimidine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic oxide - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 424.500 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.222 Da |
| Monoisotopic Mass | 424.222 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 686.000 |
| 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 |
![1-methyl-9-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione - CAS No(845806-66-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M933435.jpg)