TL;DR: N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine (CAS 151331-80-5) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.08923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-ethylsulfonyl-2-pyridinyl)-4,6-dimethoxypyrimidin-2-amine
Also Known As: rimsulfuron TP2, DESAMINO PPU, Rimsulfuron metabolite, Rimsulfuron Impurity 2, 2-Pyrimidinamine, N-[3-(ethylsulfonyl)-2-pyridinyl]-4,6-dimethoxy-
| Molecular Formula | C13H16N4O4S |
| Molecular Weight | 324.08923 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.08923 Da |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
| SMILES | CCS(=O)(=O)C1=C(N=CC=C1)NC2=NC(=CC(=N2)OC)OC |
| InChIKey | AFOZBVKCZXHDER-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine. Following Lipinski's Rule of Five, N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine is 151331-80-5.
The molecular formula of N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine is C13H16N4O4S.
The molecular weight of N-(3-(Ethylsulfonyl)-2-pyridinyl)-4,6-dimethoxy-2-pyrimidinamine is 324.08923 g/mol.
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