| CAS Number | 1221722-39-9 |
| Catalog Number | AG019Y60 |
| Chemical Name | 3-[4-methyl-6-oxo-2-(pyridin-3-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid |
| IUPAC Name | 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoic acid |
| InChI | InChI=1S/C13H13N3O3/c1-8-10(4-5-11(17)18)13(19)16-12(15-8)9-3-2-6-14-7-9/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H,15,16,19) |
| InChI Key | YIYBUHQTPMHBGA-UHFFFAOYSA-N |
| MDL Number | MFCD13499349 |
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.2606 |
| SMILES | CC1=C(CCC(O)=O)C(=O)NC(C2=CN=CC=C2)=N1 |
| Synonyms | 3-[4-methyl-6-oxo-2-(pyridin-3-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid,
1221722-39-9,
AC1Q2F1C,
CTK7J2908,
ZINC39947539,
AKOS006162797,
MCULE-3810598988,
NE15757,
EN300-57175,
Z1259041009,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.265g/mol |
| Monoisotopic Mass | 259.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number