| CAS Number | 950148-98-8 |
| Catalog Number | AG019M6C(AGN-PC-0WO3DQ) |
| Chemical Name | 2-Cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C9H10N2O3/c1-4-6(9(13)14)8(12)11-7(10-4)5-2-3-5/h5H,2-3H2,1H3,(H,13,14)(H,10,11,12) |
| InChI Key | GTRLMSIMTPUBTF-UHFFFAOYSA-N |
| MDL Number | MFCD09863298 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | CC1=C(C(O)=O)C(=O)NC(C2CC2)=N1 |
| Synonyms | 2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid,
950148-98-8,
2-cyclopropyl-4-hydroxy-6-methylpyrimidine-5-carboxylic acid,
AC1Q2DJY,
AC1Q2DKF,
SCHEMBL12168861,
CTK7I6183,
ZINC12732091,
AKOS000202845,
MCULE-3002993198,
NE17532,
EN300-29771,
EN300-35009,
Z235362343,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number