| CAS Number | 2137845-58-8 |
| Catalog Number | AG01EHVY |
| Chemical Name | methyl 2-(trifluoromethyl)-1H,2H,3H,4H-imidazo[1,5-a]pyrimidine-8-carboxylate |
| IUPAC Name | methyl 2-(trifluoromethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine-8-carboxylate |
| InChI | InChI=1S/C9H10F3N3O2/c1-17-8(16)6-7-14-5(9(10,11)12)2-3-15(7)4-13-6/h4-5,14H,2-3H2,1H3 |
| InChI Key | ZDORQPXJTCVTAP-UHFFFAOYSA-N |
| MDL Number | MFCD31434721 |
| Molecular Formula | C9H10F3N3O2 |
| Molecular Weight | 249.1898 |
| SMILES | COC(C1=C2N(CCC(C(F)(F)F)N2)C=N1)=O |
| Synonyms | AKOS034085754,
methyl 2-(trifluoromethyl)-1H,2H,3H,4H-imidazo[1,5-a]pyrimidine-8-carboxylate,
2137845-58-8,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.193g/mol |
| Monoisotopic Mass | 249.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number