| CAS Number | 845723-50-4 |
| Catalog Number | AG01FN7R(AGN-PC-0USE5X) |
| Chemical Name | Methyl 5-(benzyloxy)-6-oxo-1,6-dihydropyrimidine-4-carboxylate |
| IUPAC Name | methyl 6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate |
| InChI | InChI=1S/C13H12N2O4/c1-18-13(17)10-11(12(16)15-8-14-10)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15,16) |
| InChI Key | WEHZFKRCAPQCHV-UHFFFAOYSA-N |
| MDL Number | MFCD24387657 |
| Molecular Formula | C13H12N2O4 |
| Molecular Weight | 260.2454 |
| SMILES | O=C(C(N=CN1)=C(OCC2=CC=CC=C2)C1=O)OC |
| Synonyms | methyl 5-(benzyloxy)-6-oxo-1,6-dihydropyrimidine-4-carboxylate,
845723-50-4,
SCHEMBL4326071,
WEHZFKRCAPQCHV-UHFFFAOYSA-N,
ZINC90394343,
AKOS024627758,
MCULE-1882041371,
L-5421,
methyl 5-benzyloxy-6-hydroxypyrimidine-4-carboxylate,
F2147-1213,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.249g/mol |
| Monoisotopic Mass | 260.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number