| CAS Number | 1823887-69-9 |
| Catalog Number | AG01C3CU |
| Chemical Name | ethyl imidazo[1,5-a]pyrimidine-6-carboxylate |
| IUPAC Name | ethyl imidazo[1,5-a]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C9H9N3O2/c1-2-14-9(13)8-11-6-7-10-4-3-5-12(7)8/h3-6H,2H2,1H3 |
| InChI Key | DKMXEQSFNBNHNI-UHFFFAOYSA-N |
| MDL Number | MFCD26516632 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CCOC(C1N2C(N=CC=C2)=CN=1)=O |
| Synonyms | ethyl imidazo[1,5-a]pyrimidine-6-carboxylate,
1823887-69-9,
ZINC238283440,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number