TL;DR: (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione (CAS 1351448-61-7) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione, (5E)-5-(2,4-dimethoxybenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-(2,4-dimethoxybenzylidene)-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione, (E)-5-(2,4-dimethoxybenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C14H14N2O5 |
| Molecular Weight | 290.09027 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.09027 Da |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
| SMILES | CN1C(=O)/C(=C/C2=C(C=C(C=C2)OC)OC)/C(=O)NC1=O |
| InChIKey | NKLSPRRKOUDXQL-UXBLZVDNSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione has 1 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-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione is 1351448-61-7.
The molecular formula of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione is C14H14N2O5.
The molecular weight of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione is 290.09027 g/mol.
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