≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Desiccated 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 | CCS(=O)(=O)C1=C(N=CC=C1)NC2=NC(=CC(=N2)OC)OC |
|---|---|
| InChIKey | AFOZBVKCZXHDER-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N4O4S/c1-4-22(18,19)9-6-5-7-14-12(9)17-13-15-10(20-2)8-11(16-13)21-3/h5-8H,4H2,1-3H3,(H,14,15,16,17) |
| Isomeric SMILES | CCS(=O)(=O)C1=C(N=CC=C1)NC2=NC(=CC(=N2)OC)OC |
| Molecular Weight | 324.36 |
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 | Aminopyrimidines and derivatives |
| Alternative Parents | Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Sulfones Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Pyridine - Imidolactam - Sulfone - Heteroaromatic compound - Sulfonyl - Ether - Secondary amine - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. 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 |
| Boil Point(°C) | 587.0±60.0°C(Predicted) |
|---|---|
| Molecular Weight | 324.360 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 324.089 Da |
| Monoisotopic Mass | 324.089 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 430.000 |
| 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 |
