TL;DR: 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CAS 1008956-09-9) is a chemical compound with molecular formula C23H29N5O3 and molecular weight 423.22705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
Also Known As: 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione, 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
| Molecular Formula | C23H29N5O3 |
| Molecular Weight | 423.22705 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.22705 Da |
| Heavy Atoms | 31 |
| Complexity | 621.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCN(CC3)C4=NC(=CC(=N4)C)C |
| InChIKey | VERTZIHUFUOUNW-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is 1008956-09-9.
The molecular formula of 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is C23H29N5O3.
The molecular weight of 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is 423.22705 g/mol.
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