| CAS Number | 143696-96-2 |
| Catalog Number | AG01AI3B(AGN-PC-0PUECH) |
| Chemical Name | ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-2-carboxylate |
| IUPAC Name | ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate |
| InChI | InChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h6H,2-5H2,1H3,(H,10,11) |
| InChI Key | QLUHDKGNAMXJOV-UHFFFAOYSA-N |
| MDL Number | MFCD18838812 |
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.2184 |
| SMILES | CCOC(C1N=C2N(CCCN2)C=1)=O |
| Synonyms | ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-2-carboxylate,
143696-96-2,
ZINC34478386,
AKOS023166221,
NE48252,
EN300-76615,
Z1267881714,
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.222g/mol |
| Monoisotopic Mass | 195.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number