TL;DR: 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)- (CAS 141300-25-6) is a chemical compound with molecular formula C11H10N6S and molecular weight 258.06876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione
Also Known As: 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)-, 1,5-Dihydro-5-amino-6-(phenylamino)-4H-pyrazolo(3,4-d)pyrimidine-4-thione, 5-amino-6-anilino-1H-pyrazolo[3,4-d]pyrimidine-4-thione, 5-amino-6-(phenylamino)-1H,4H,5H-pyrazolo[3,4-d]pyrimidine-4-thione, 5-Amino-6-anilino-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-thione
| Molecular Formula | C11H10N6S |
| Molecular Weight | 258.06876 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.06876 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | C1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=S)N2N |
| InChIKey | UACHFHYFXFEPHX-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)-. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)-. Following Lipinski's Rule of Five, 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)- has 3 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 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)- is 141300-25-6.
The molecular formula of 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)- is C11H10N6S.
The molecular weight of 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-(phenylamino)- is 258.06876 g/mol.
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