TL;DR: 6-chloro-5H-purin-2-amine (CAS 1216813-31-8) is a chemical compound with molecular formula C5H4ClN5 and molecular weight 169.01552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-5H-purin-2-amine
Also Known As: 6-Chloroguanine, 2-Amino-6-chloropurine, 6-chloro-5H-purin-2-amine, 5H-Purin-2-amine, 6-chloro-
| Molecular Formula | C5H4ClN5 |
| Molecular Weight | 169.01552 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.01552 Da |
| Heavy Atoms | 11 |
| Complexity | 313.0 |
| SMILES | C1=NC2C(=N1)N=C(N=C2Cl)N |
| InChIKey | UWLJXPUSGWRVJO-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that 6-chloro-5H-purin-2-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-5H-purin-2-amine. Following Lipinski's Rule of Five, 6-chloro-5H-purin-2-amine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-chloro-5H-purin-2-amine is 1216813-31-8.
The molecular formula of 6-chloro-5H-purin-2-amine is C5H4ClN5.
The molecular weight of 6-chloro-5H-purin-2-amine is 169.01552 g/mol.
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