| CAS Number | 887410-44-8 |
| Catalog Number | AG01BN66 |
| Chemical Name | ethyl 2-ethyl-4-(propan-2-yl)pyrimidine-5-carboxylate |
| IUPAC Name | ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C12H18N2O2/c1-5-10-13-7-9(12(15)16-6-2)11(14-10)8(3)4/h7-8H,5-6H2,1-4H3 |
| InChI Key | NMHSQRMCDIMJJI-UHFFFAOYSA-N |
| MDL Number | MFCD07367429 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | CCOC(C1=C(C(C)C)N=C(CC)N=C1)=O |
| Synonyms | 887410-44-8,
ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate,
ethyl 2-ethyl-4-isopropyl-5-pyrimidine carboxylate,
CTK6F7084,
ZINC8700222,
ETHYL-2-ETHYL-4-ISOPROPYL-5-PYRIMIDINE CARBOXYLATE,
Ethyl 2-ethyl-4-isopropyl-5-pyrimidinecarboxylate,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.288g/mol |
| Monoisotopic Mass | 222.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number