TL;DR: 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol (CAS 100376-77-0) is a chemical compound with molecular formula C8H10ClN5O and molecular weight 227.05739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloro-7-methylpurin-6-yl)amino]ethanol
Also Known As: 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol, 2-[(2-chloro-7-methylpurin-6-yl)amino]ethanol, 2-Chloro-6-(2'-hydroxyethyl-amino)-7-methylpurine, 2-[(2-chloro-7-methyl-7H-purin-6-yl)amino]ethan-1-ol, 2-[(2-chloro-7-methyl-7H-purin-6-yl)amino]ethanol
| Molecular Formula | C8H10ClN5O |
| Molecular Weight | 227.05739 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.05739 Da |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
| SMILES | CN1C=NC2=C1C(=NC(=N2)Cl)NCCO |
| InChIKey | YRFQHPUYMMJFCF-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol. Following Lipinski's Rule of Five, 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol has 2 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-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol is 100376-77-0.
The molecular formula of 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol is C8H10ClN5O.
The molecular weight of 2-((2-Chloro-7-methyl-7H-purin-6-yl)amino)ethanol is 227.05739 g/mol.
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