| CAS Number | 1521986-79-7 |
| Catalog Number | AG01BFUK(AGN-PC-0WOW81) |
| Chemical Name | 1-{Imidazo[1,2-a]pyrimidin-2-yl}ethan-1-one |
| IUPAC Name | 1-imidazo[1,2-a]pyrimidin-2-ylethanone |
| InChI | InChI=1S/C8H7N3O/c1-6(12)7-5-11-4-2-3-9-8(11)10-7/h2-5H,1H3 |
| InChI Key | JRBFQWRJVATVIN-UHFFFAOYSA-N |
| MDL Number | MFCD23904666 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | CC(C1N=C2N(C=CC=N2)C=1)=O |
| Synonyms | 1-{imidazo[1,2-a]pyrimidin-2-yl}ethan-1-one,
1521986-79-7,
SCHEMBL10162406,
ZINC87546362,
AKOS019025555,
NE20690,
Z1925930031,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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