TL;DR: 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione (CAS 66968-21-6) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-5-2,4,6 -pyrimidinetrione, 5- -5- -2,4,6 -pyrimidinetrione, 5-(2-Ethylbutyl)-5-(2-methylallyl)barbituric acid, 5-(2-ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione, 5-(2-ethylbutyl)-5-(2-methylprop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C14H22N2O3 |
| Molecular Weight | 266.16306 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.16306 Da |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
| SMILES | CCC(CC)CC1(C(=O)NC(=O)NC1=O)CC(=C)C |
| InChIKey | AICVXDPIMAMVDD-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione is 66968-21-6.
The molecular formula of 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione is C14H22N2O3.
The molecular weight of 5-(2-Ethylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione is 266.16306 g/mol.
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