TL;DR: Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)- (CAS 164468-04-6) is a chemical compound with molecular formula C16H24N4O2 and molecular weight 304.1899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
Also Known As: 1-(2-Acetyl-1-oxohexyl)-4-(2-pyrimidinyl)piperazine, 1-(4-(2-Pyrimidyl)-1-piperazinyl)-2-acetyl-1-hexanone, Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-, 2-butyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione, 2-BUTYL-1-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]BUTANE-1,3-DIONE
| Molecular Formula | C16H24N4O2 |
| Molecular Weight | 304.1899 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.1899 Da |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
| SMILES | CCCCC(C(=O)C)C(=O)N1CCN(CC1)C2=NC=CC=N2 |
| InChIKey | CYNWOMAJDPVBPA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-. Following Lipinski's Rule of Five, Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)- is 164468-04-6.
The molecular formula of Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)- is C16H24N4O2.
The molecular weight of Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)- is 304.1899 g/mol.
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