TL;DR: 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 1164466-85-6) is a chemical compound with molecular formula C18H24N4O3 and molecular weight 344.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, AB00079510-01, 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione, (5Z)-1-benzyl-5-[[2-(diethylamino)ethylamino]methylene]barbituric acid, (5E)-1-benzyl-5-[(2-diethylaminoethylamino)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H24N4O3 |
| Molecular Weight | 344.18484 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.18484 Da |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
| SMILES | CCN(CC)CCN=CC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)O |
| InChIKey | FVMSPBCIZLTLEU-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione 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 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 1164466-85-6.
The molecular formula of 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C18H24N4O3.
The molecular weight of 1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 344.18484 g/mol.
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