≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 | CCC1=C(N=C(NC1=O)N2C(=CC(=N2)C3=CC=CS3)N)C |
|---|---|
| IUPAC Name | 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one |
| InChIKey | YPPMKVHXRSODFL-UHFFFAOYSA-N |
| INCHI | 1S/C14H15N5OS/c1-3-9-8(2)16-14(17-13(9)20)19-12(15)7-10(18-19)11-5-4-6-21-11/h4-7H,3,15H2,1-2H3,(H,16,17,20) |
| Isomeric SMILES | CCC1=C(N=C(NC1=O)N2C(=CC(=N2)C3=CC=CS3)N)C |
| PubChem CID | 135984526 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Hydropyrimidines Vinylogous amides Thiophenes Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidone - Hydropyrimidine - Azole - Pyrazole - Thiophene - Vinylogous amide - Heteroaromatic compound - Azacycle - Amine - Organic oxygen compound - Primary amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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 | 301.370 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 301.1 Da |
| Monoisotopic Mass | 301.1 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 504.000 |
| 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 |
![2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one - ≥98% , CAS No.1207024-88-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)