TL;DR: (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164463-01-7) is a chemical compound with molecular formula C18H20ClN3O4 and molecular weight 377.11423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-5-[C-ethyl-N-(oxolan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-chlorophenyl)-5-[1-(oxolan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-chlorophenyl)-5-[1-(oxolan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-chlorophenyl)-6-hydroxy-5-{1-[(tetrahydrofuran-2-ylmethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C18H20ClN3O4 |
| Molecular Weight | 377.11423 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.11423 Da |
| Heavy Atoms | 26 |
| Complexity | 626.0 |
| SMILES | CCC(=NCC1CCCO1)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O |
| InChIKey | CZDRBPNKXSJPJF-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 1164463-01-7.
The molecular formula of (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C18H20ClN3O4.
The molecular weight of (E)-1-(4-chlorophenyl)-5-(1-(((tetrahydrofuran-2-yl)methyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 377.11423 g/mol.
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