| CAS Number | 1016864-65-5 |
| Catalog Number | AG019KZJ |
| Chemical Name | 2-bromo-3-methyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one |
| IUPAC Name | 2-bromo-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one |
| InChI | InChI=1S/C13H19BrN4O/c1-10(2)11(14)12(19)17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3 |
| InChI Key | FQUDYUTYTPKOFP-UHFFFAOYSA-N |
| MDL Number | MFCD09949321 |
| Molecular Formula | C13H19BrN4O |
| Molecular Weight | 327.2202 |
| SMILES | CC(C(C(N1CCN(C2=NC=CC=N2)CC1)=O)Br)C |
| Synonyms | 2-bromo-3-methyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one,
1016864-65-5,
AKOS000197653,
NE36575,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.226g/mol |
| Monoisotopic Mass | 326.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number