≥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=NC=C2CN(CCC2=N1)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl 2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate |
| InChIKey | MFFOVBHZCZAHIG-UHFFFAOYSA-N |
| INCHI | 1S/C13H19N3O2/c1-9-14-7-10-8-16(6-5-11(10)15-9)12(17)18-13(2,3)4/h7H,5-6,8H2,1-4H3 |
| Isomeric SMILES | CC1=NC=C2CN(CCC2=N1)C(=O)OC(C)(C)C |
| Alternate CAS | 210538-72-0 |
| PubChem CID | 69223447 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Pyrimidines and pyrimidine derivatives Pyridines and derivatives Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Pyridine - Pyrimidine - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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 | 249.310 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.148 Da |
| Monoisotopic Mass | 249.148 Da |
| Topological Polar Surface Area | 55.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 314.000 |
| 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 |
![tert-Butyl 2-methyl-7，8-dihydropyrido[4，3-d]pyrimidine-6(5H)-carboxylate - ≥97% CAS No(210538-72-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/7/T734738.jpg)