TL;DR: (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 1164524-40-6) is a chemical compound with molecular formula C18H21N3O4 and molecular weight 343.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-6-hydroxy-5-[C-methyl-N-(oxolan-2-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione
Also Known As: (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione, 1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-benzyl-6-hydroxy-5-{1-[(tetrahydrofuran-2-ylmethyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione, (E)-1-benzyl-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C18H21N3O4 |
| Molecular Weight | 343.1532 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1532 Da |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
| SMILES | CC(=NCC1CCCO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)O |
| InChIKey | DDROPVDMNWWBOI-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-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-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 1164524-40-6.
The molecular formula of (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is C18H21N3O4.
The molecular weight of (5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 343.1532 g/mol.
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