TL;DR: (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 1164453-08-0) is a chemical compound with molecular formula C16H26N4O4 and molecular weight 338.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
Also Known As: (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (E)-1-butyl-5-(1-((2-morpholinoethyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-Butyl-5-[1-(2-morpholin-4-yl-ethylamino)-eth-(E)-ylidene]-pyrimidine-2,4,6-trione, 1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H26N4O4 |
| Molecular Weight | 338.1954 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.1954 Da |
| Heavy Atoms | 24 |
| Complexity | 538.0 |
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NCCN2CCOCC2)C)O |
| InChIKey | AMRRSEQMPXIWPA-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 1164453-08-0.
The molecular formula of (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is C16H26N4O4.
The molecular weight of (5E)-1-butyl-5-[1-(2-morpholin-4-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 338.1954 g/mol.
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