TL;DR: (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 1164470-81-8) is a chemical compound with molecular formula C19H25N5O4 and molecular weight 387.19064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-1-(4-methoxyphenyl)-5-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
Also Known As: (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-2-hydroxy-1-(4-methoxyphenyl)-5-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)pyrimidine-4,6(1H,5H)-dione, (E)-1-(4-methoxyphenyl)-5-(1-((2-(piperazin-1-yl)ethyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C19H25N5O4 |
| Molecular Weight | 387.19064 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.19064 Da |
| Heavy Atoms | 28 |
| Complexity | 649.0 |
| SMILES | CC(=NCCN1CCNCC1)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)OC)O |
| InChIKey | VVTWZQOXZFLBKV-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 1164470-81-8.
The molecular formula of (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is C19H25N5O4.
The molecular weight of (5E)-1-(4-methoxyphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 387.19064 g/mol.
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