TL;DR: 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 612524-07-9) is a chemical compound with molecular formula C21H21N5 and molecular weight 343.1797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-(4-methylbenzyl)-N-phenethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-[(4-methylphenyl)methyl]-N-phenethylpyrazolo[3,4-d]pyrimidin-4-amine, {1-[(4-methylphenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}(2-phenylethyl)amine, 1-(4-METHYLBENZYL)-N-(2-PHENYLETHYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE
| Molecular Formula | C21H21N5 |
| Molecular Weight | 343.1797 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.1797 Da |
| Heavy Atoms | 26 |
| Complexity | 417.0 |
| SMILES | CC1=CC=C(C=C1)CN2C3=NC=NC(=C3C=N2)NCCC4=CC=CC=C4 |
| InChIKey | WCAJRTPPYYNUPO-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 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 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is 612524-07-9.
The molecular formula of 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is C21H21N5.
The molecular weight of 1-(4-methylbenzyl)-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is 343.1797 g/mol.
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