TL;DR: 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine (CAS 1164506-43-7) is a chemical compound with molecular formula C15H16N4O2 and molecular weight 284.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
Also Known As: 2-{4-[3-(2-furyl)acryloyl]-1-piperazinyl}pyrimidine, F5791-1396, (2E)-3-(2-furyl)-1-(4-pyrimidin-2-ylpiperazinyl)prop-2-en-1-one, (E)-3-(furan-2-yl)-1-(4-(pyrimidin-2-yl)piperazin-1-yl)prop-2-en-1-one, (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
| Molecular Formula | C15H16N4O2 |
| Molecular Weight | 284.12732 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.12732 Da |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=CO3 |
| InChIKey | MWBWBHRTQPZSQJ-SNAWJCMRSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine. Following Lipinski's Rule of Five, 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine 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 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine is 1164506-43-7.
The molecular formula of 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine is C15H16N4O2.
The molecular weight of 2-{4-[3-(2-Furyl)acryloyl]-1-piperazinyl}pyrimidine is 284.12732 g/mol.
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