TL;DR: 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine (CAS 627060-62-2) is a chemical compound with molecular formula C7H8ClN5S and molecular weight 229.01889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-3-amine
Also Known As: 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, 4-chloro-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine, 3-amino-4-chloro-1-methyl-6-methylthiopyra-zolo[3,4-d]pyrimidine, 4-chloro-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-amine, 2-chloro-7-methyl-4-methylsulfanyl-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-amine
| Molecular Formula | C7H8ClN5S |
| Molecular Weight | 229.01889 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.01889 Da |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
| SMILES | CN1C2=C(C(=N1)N)C(=NC(=N2)SC)Cl |
| InChIKey | XRYHDBQSKAIUPN-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine. Following Lipinski's Rule of Five, 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine 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 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine is 627060-62-2.
The molecular formula of 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine is C7H8ClN5S.
The molecular weight of 4-Chloro-1-methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine is 229.01889 g/mol.
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