TL;DR: 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide (CAS 1002217-77-7) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.19574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
Also Known As: 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide, 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide, F2697-0027, 2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C21H25N5O3 |
| Molecular Weight | 395.19574 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.19574 Da |
| Heavy Atoms | 29 |
| Complexity | 696.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(N=C2N3C(=CC(=N3)C)C)C)C |
| InChIKey | CCACDFGCNKQFPX-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide has 1 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-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide is 1002217-77-7.
The molecular formula of 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide is C21H25N5O3.
The molecular weight of 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide is 395.19574 g/mol.
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