TL;DR: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164477-74-0) is a chemical compound with molecular formula C19H22N4O3 and molecular weight 354.1692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)pyrimidine-2,4-dione
Also Known As: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-5-{[(pyridin-3-ylmethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione, (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((pyridin-3-ylmethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C19H22N4O3 |
| Molecular Weight | 354.1692 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.1692 Da |
| Heavy Atoms | 26 |
| Complexity | 639.0 |
| SMILES | C1CCC(=CC1)CCN2C(=C(C(=O)NC2=O)C=NCC3=CN=CC=C3)O |
| InChIKey | NIWVCXNCGHOIBJ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-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 (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione is 1164477-74-0.
The molecular formula of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione is C19H22N4O3.
The molecular weight of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione is 354.1692 g/mol.
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