TL;DR: 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione (CAS 1164466-98-1) is a chemical compound with molecular formula C19H25N3O3 and molecular weight 343.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione, 1-butyl-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione, 1-butyl-5-[1-(phenethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-butyl-5-[1-(phenethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (E)-1-butyl-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C19H25N3O3 |
| Molecular Weight | 343.1896 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.1896 Da |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NCCC2=CC=CC=C2)CC)O |
| InChIKey | PMELUTGRAOORHI-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione is 1164466-98-1.
The molecular formula of 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione is C19H25N3O3.
The molecular weight of 1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione is 343.1896 g/mol.
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