≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCCN1C2=C(C(=S)N=C(N2)C(C)C)C(=O)N(C1=O)C |
|---|---|
| IUPAC Name | 3-methyl-7-propan-2-yl-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione |
| InChIKey | ZCABBZHPDLKAAH-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N4O2S/c1-5-6-17-10-8(12(18)16(4)13(17)19)11(20)15-9(14-10)7(2)3/h7H,5-6H2,1-4H3,(H,14,15,20) |
| Molecular Weight | 294.380 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Pyrimidinethiones Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrimidinethione - Pyrimidone - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 294.380 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 294.115 Da |
| Monoisotopic Mass | 294.115 Da |
| Topological Polar Surface Area | 97.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 551.000 |
| 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 |
![3-methyl-7-(propan-2-yl)-1-propyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione - ≥95% , CAS No.851169-26-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)