| CAS Number | 950032-31-2 |
| Catalog Number | AG01EIE4 |
| Chemical Name | methyl 2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate |
| InChI | InChI=1S/C10H12N2O3/c1-5-7(10(14)15-2)9(13)12-8(11-5)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,12,13) |
| InChI Key | BKAFMCRHJVMFPU-UHFFFAOYSA-N |
| MDL Number | MFCD09863299 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| SMILES | COC(C1C(=O)NC(C2CC2)=NC=1C)=O |
| Synonyms | methyl 2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate,
methyl 2-cyclopropyl-4-hydroxy-6-methylpyrimidine-5-carboxylate,
950032-31-2,
AC1Q41YX,
AC1Q41Z8,
CTK6I8531,
ZINC15589952,
AKOS033871747,
MCULE-6479173153,
NE31236,
EN300-29778,
EN300-35003,
AB00796189-01,
Z235362829,
methyl 2-cyclopropyl-6-hydroxy-4-methylpyrimidine-5-carboxylate,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.217g/mol |
| Monoisotopic Mass | 208.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number