| CAS Number | 223609-09-4 |
| Catalog Number | AG00BIGC(AGN-PC-0WAF33) |
| Chemical Name | T-Butyl 4-hydroxy-7,8-dihydropyrido[4,3-D]pyrimidine-6(5H)-carboxylate |
| IUPAC Name | tert-butyl 4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-9-8(6-15)10(16)14-7-13-9/h7H,4-6H2,1-3H3,(H,13,14,16) |
| InChI Key | PRFOBVCTOOEZJN-UHFFFAOYSA-N |
| MDL Number | MFCD11869801 |
| Molecular Formula | C12H17N3O3 |
| Molecular Weight | 251.2817 |
| SMILES | O=C(N1CCC2=NC=NC(O)=C2C1)OC(C)(C)C |
| Synonyms | T-BUTYL 4-HYDROXY-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE,
223609-09-4,
tert-butyl 4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate,
SCHEMBL1329919,
PRFOBVCTOOEZJN-UHFFFAOYSA-N,
KM5590,
ZINC31776891,
CS-0084733,
V4495,
tert-Butyl 4-oxo-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(1H)-carboxylate,
C12H17N3O3,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.286g/mol |
| Monoisotopic Mass | 251.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number