TL;DR: 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol (CAS 36531-26-7) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
Also Known As: OXANTEL, 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol, (E)-3-(2-(1-Methyl-1,4,5,6-tetrahydropyrimidin-2-yl)vinyl)phenol
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
| SMILES | CN1CCCN=C1C=CC2=CC(=CC=C2)O |
| InChIKey | VRYKTHBAWRESFI-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol. With a topological polar surface area (TPSA) of 35.8 Ų, 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol is 36531-26-7.
The molecular formula of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol is C13H16N2O.
The molecular weight of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol is 216.12627 g/mol.
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