| CAS Number | 601516-17-0 |
| Catalog Number | AG01FOKY(AGN-PC-0SUY10) |
| Chemical Name | Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2-formyl-7,8-dihydro-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-formyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C13H17N3O3/c1-13(2,3)19-12(18)16-5-4-10-9(7-16)6-14-11(8-17)15-10/h6,8H,4-5,7H2,1-3H3 |
| InChI Key | OKTZGXZEZXZTCO-UHFFFAOYSA-N |
| MDL Number | MFCD12755222 |
| Molecular Formula | C13H17N3O3 |
| Molecular Weight | 263.2924 |
| SMILES | C(=O)C=1N=CC2=C(N1)CCN(C2)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 2-formyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5h)-carboxylate,
ZINC105640925,
CS-0083403,
601516-17-0,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.297g/mol |
| Monoisotopic Mass | 263.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number