| CAS Number | 1146290-12-1 |
| Catalog Number | AG018SE4(AGN-PC-0WBQDM) |
| Chemical Name | 2-[4-Methyl-6-oxo-2-(pyridin-4-yl)-1,6-dihydropyrimidin-5-yl]acetic acid |
| IUPAC Name | 2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetic acid |
| InChI | InChI=1S/C12H11N3O3/c1-7-9(6-10(16)17)12(18)15-11(14-7)8-2-4-13-5-3-8/h2-5H,6H2,1H3,(H,16,17)(H,14,15,18) |
| InChI Key | BHAMDRWCJYDZBD-UHFFFAOYSA-N |
| MDL Number | MFCD11857997 |
| Molecular Formula | C12H11N3O3 |
| Molecular Weight | 245.2340 |
| SMILES | CC1=C(CC(O)=O)C(=O)NC(C2=CC=NC=C2)=N1 |
| Synonyms | 2-[4-methyl-6-oxo-2-(pyridin-4-yl)-1,6-dihydropyrimidin-5-yl]acetic acid,
1146290-12-1,
[4-methyl-6-oxo-2-(pyridin-4-yl)-1H-pyrimidin-5-yl]acetic acid,
AC1Q2EZ8,
CTK7J2056,
ZINC32628470,
AKOS009589934,
MCULE-5874686802,
NE15321,
EN300-42974,
AB00999448-01,
F8889-9222,
Z444349944,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.238g/mol |
| Monoisotopic Mass | 245.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number