TL;DR: (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione (CAS 1164485-89-5) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (E)-1-butyl-5-(1-((furan-2-ylmethyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione, 1-Butyl-5-[1-[(furan-2-ylmethyl)-amino]-prop-(E)-ylidene]-pyrimidine-2,4,6-trione, (5E)-3-butyl-5-{1-[(furan-2-ylmethyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C16H21N3O4 |
| Molecular Weight | 319.1532 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.1532 Da |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NCC2=CC=CO2)CC)O |
| InChIKey | KXRQFCKNWVIGCU-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione has 2 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 (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione is 1164485-89-5.
The molecular formula of (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione is C16H21N3O4.
The molecular weight of (5E)-1-butyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione is 319.1532 g/mol.
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