≥97% 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 | CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)O |
|---|---|
| IUPAC Name | 4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxylic acid |
| InChIKey | USWIJJMJPPKQPY-UHFFFAOYSA-N |
| INCHI | 1S/C11H12N2O3/c1-7-3-4-13-8(5-7)12-9(14)6-11(13,2)10(15)16/h3-5H,6H2,1-2H3,(H,15,16) |
| Isomeric SMILES | CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)O |
| PubChem CID | 404237 |
| Molecular Weight | 220.228 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Alpha amino acids and derivatives Pyrimidones Dihydropyridines Hydropyrimidines N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxamidines Enamines Carboxylic acids Carboximidamides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Pyridopyrimidine - Dihydropyridine - Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - N-acylimine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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 | 220.220 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 220.085 Da |
| Monoisotopic Mass | 220.085 Da |
| Topological Polar Surface Area | 70.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| 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 |
![4,8-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid - ≥97% , CAS No.393802-66-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)