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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.
| Sonrisas canónicas | C1CNCC2=NC=NC(=O)C21.Cl |
|---|---|
| IUPAC Name | 5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one;hydrochloride |
| InChIKey | IUHFTZQIEBLPIK-UHFFFAOYSA-N |
| INCHI | 1S/C7H9N3O.ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;/h4-5,8H,1-3H2;1H |
| Peso molecular | 187.63 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Pyrimidones Piperidines Hydropyrimidines N-acylimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Pyrimidone - Hydropyrimidine - 5,6-dihydropyrimidine - Piperidine - Pyrimidine - N-acylimine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 187.630 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 187.051 Da |
| Monoisotopic Mass | 187.051 Da |
| Topological Polar Surface Area | 53.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 | 2 |