TL;DR: 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- (CAS 115204-67-6) is a chemical compound with molecular formula C18H16ClN5 and molecular weight 337.10944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)purin-6-amine
Also Known As: 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-, 2-Chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)-9H-purin-6-amine, 2-chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)purin-6-amine, 2-chloro-N,N-dimethyl-9-[(naphthalen-2-yl)methyl]-9H-purin-6-amine, (2S)-(2-amino-3-methylbutyryl)pyrrolidine hydrochloride
| Molecular Formula | C18H16ClN5 |
| Molecular Weight | 337.10944 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.10944 Da |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
| SMILES | CN(C)C1=NC(=NC2=C1N=CN2CC3=CC4=CC=CC=C4C=C3)Cl |
| InChIKey | JGBMKGWTRWWYDD-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.8 Ų, 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- is 115204-67-6.
The molecular formula of 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- is C18H16ClN5.
The molecular weight of 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- is 337.10944 g/mol.
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