TL;DR: 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)- (CAS 156698-69-0) is a chemical compound with molecular formula C15H19N7O3 and molecular weight 345.15494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(3,4,5-trimethoxyanilino)methyl]-7H-purine-2,6-diamine
Also Known As: 8-[(3,4,5-trimethoxyanilino)methyl]-7H-purine-2,6-diamine, 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)-, 2,6-Diamino-8-((3',4',5'-trimethoxyanilino)methyl)purine, 8-(((3,4,5-Trimethoxyphenyl)amino)methyl)-9H-purine-2,6-diamine, 8-{[(3,4,5-trimethoxyphenyl)amino]methyl}-9H-purine-2,6-diamine
| Molecular Formula | C15H19N7O3 |
| Molecular Weight | 345.15494 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.15494 Da |
| Heavy Atoms | 25 |
| Complexity | 418.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)NCC2=NC3=NC(=NC(=C3N2)N)N |
| InChIKey | VOUIYXLUJHGZHZ-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)-. The TPSA of 146.0 Ų indicates high polarity, suggesting 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)- is 156698-69-0.
The molecular formula of 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)- is C15H19N7O3.
The molecular weight of 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)- is 345.15494 g/mol.
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