TL;DR: 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)- (CAS 101394-18-7) is a chemical compound with molecular formula C12H11F3N2O2 and molecular weight 272.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
Also Known As: 3-Methyl-1-(4-trifluoromethylphenyl)-dihydrouracil, 3-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)-, 3-Methyl-1-(4-trifluoromethylphenyl)dihydrouracil, Dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C12H11F3N2O2 |
| Molecular Weight | 272.07727 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.07727 Da |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
| SMILES | CN1C(=O)CCN(C1=O)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | GWSSXUXEFLGFOJ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)- has 0 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 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)- is 101394-18-7.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)- is C12H11F3N2O2.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)- is 272.07727 g/mol.
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