TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)- (CAS 109317-88-6) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione
Also Known As: Acide (p-methoxyphenyl-1 buten-3 yl)-5 barbiturique, 5-(1-(4-Methoxyphenyl)-3-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, Acide (p-methoxyphenyl-1 buten-3 yl)-5 barbiturique [French], 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)-, 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C15H16N2O4 |
| Molecular Weight | 288.111 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.111 Da |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
| SMILES | COC1=CC=C(C=C1)C(CC=C)C2C(=O)NC(=O)NC2=O |
| InChIKey | DUNCPRPBOVGNFW-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)- 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)- is 109317-88-6.
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)- is C15H16N2O4.
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)- is 288.111 g/mol.
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