TL;DR: N 0861 (CAS 141696-90-4) is a chemical compound with molecular formula C13H17N5 and molecular weight 243.14839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
Also Known As: N-0861, N(6)-Endonorbornan-2-yl-9-methyladenine, N 0861, N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine, N-(Bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H17N5 |
| Molecular Weight | 243.14839 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.14839 Da |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
| SMILES | CN1C=NC2=C(N=CN=C21)N[C@@H]3C[C@@H]4CC[C@H]3C4 |
| InChIKey | MTQYIGCUBBMQCJ-KXUCPTDWSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N 0861. With a topological polar surface area (TPSA) of 55.6 Ų, N 0861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N 0861 has 1 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 N 0861 is 141696-90-4.
The molecular formula of N 0861 is C13H17N5.
The molecular weight of N 0861 is 243.14839 g/mol.
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