TL;DR: (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione (CAS 1164499-54-0) is a chemical compound with molecular formula C15H24N4O3 and molecular weight 308.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-aminocyclohexyl)iminomethyl]-1-butyl-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione, (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione, (5E)-5-{[(2-aminocyclohexyl)amino]methylidene}-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C15H24N4O3 |
| Molecular Weight | 308.18484 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.18484 Da |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C=NC2CCCCC2N)O |
| InChIKey | WTAJEGGYTHLDHL-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione has 3 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)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione is 1164499-54-0.
The molecular formula of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione is C15H24N4O3.
The molecular weight of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione is 308.18484 g/mol.
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