TL;DR: 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl- (CAS 115204-62-1) is a chemical compound with molecular formula C14H15ClN6 and molecular weight 302.10468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[(4-aminophenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine
Also Known As: 9-(4-Aminobenzyl)-2-chloro-N,N-dimethyl-9H-purin-6-amine, 9-[(4-aminophenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine, 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl-, (2S)-(2-amino-3-methylbutyryl)pyrrolidine hydrochloride, 9-[(4-AMINOPHENYL)METHYL]-2-CHLORO-N,N-DIMETHYL-9H-PURIN-6-AMINE
| Molecular Formula | C14H15ClN6 |
| Molecular Weight | 302.10468 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.10468 Da |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
| SMILES | CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)N)Cl |
| InChIKey | YMZDRVLWLRZEMP-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl-. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl-. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl- 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 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl- is 115204-62-1.
The molecular formula of 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl- is C14H15ClN6.
The molecular weight of 9H-Purin-6-amine, 9-((4-aminophenyl)methyl)-2-chloro-N,N-dimethyl- is 302.10468 g/mol.
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