TL;DR: 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro- (CAS 143328-96-5) is a chemical compound with molecular formula C11H7Cl2FN2O and molecular weight 271.99194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro-, 2-((2,6-Dichlorophenyl)methyl)-5-fluoro-4(1H)-pyrimidinone, 2-(2,6-Dichlorobenzyl)-5-fluoropyrimidin-4(3H)-one, 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one, 2-[(2,6-Dichlorophenyl)methyl]-5-fluoropyrimidin-4(3H)-one
| Molecular Formula | C11H7Cl2FN2O |
| Molecular Weight | 271.99194 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.99194 Da |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)CC2=NC=C(C(=O)N2)F)Cl |
| InChIKey | GVEXQWHKWBKDCD-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro-. With a topological polar surface area (TPSA) of 41.5 Ų, 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro- is 143328-96-5.
The molecular formula of 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro- is C11H7Cl2FN2O.
The molecular weight of 4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro- is 271.99194 g/mol.
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