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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=C(C(C2=C(N1)N=C(NC2=O)SC)C3=CC=NC=C3)C(=O)OC(C)C |
|---|---|
| IUPAC Name | propan-2-yl 7-methyl-2-methylsulfanyl-4-oxo-5-pyridin-4-yl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate |
| InChIKey | RIVROUAURCMIBM-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N4O3S/c1-9(2)25-17(24)12-10(3)20-15-14(16(23)22-18(21-15)26-4)13(12)11-5-7-19-8-6-11/h5-9,13H,1-4H3,(H2,20,21,22,23) |
| Molecular Weight | 372.400 |
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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 | Pyrimidones Alkylarylthioethers Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Sulfenyl compounds Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Aryl thioether - Pyrimidone - Alkylarylthioether - Pyridine - Pyrimidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic 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 | 372.400 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 372.126 Da |
| Monoisotopic Mass | 372.126 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 705.000 |
| 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 |
![Isopropyl 7-methyl-2-(methylthio)-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate , CAS No.537045-88-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)