TL;DR: 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone (CAS 1004403-20-6) is a chemical compound with molecular formula C18H19N5O and molecular weight 321.15897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[6-(dimethylamino)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
Also Known As: 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone, 1-[1-[6-(dimethylamino)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone, 1-{1-[6-(dimethylamino)-2-phenylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
| Molecular Formula | C18H19N5O |
| Molecular Weight | 321.15897 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.15897 Da |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
| SMILES | CC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N(C)C)C(=O)C |
| InChIKey | DCOXOPYNMHMIDH-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone. Following Lipinski's Rule of Five, 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone 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 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is 1004403-20-6.
The molecular formula of 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is C18H19N5O.
The molecular weight of 1-(1-(6-(dimethylamino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is 321.15897 g/mol.
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