TL;DR: Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)- (CAS 167224-17-1) is a chemical compound with molecular formula C20H28N8O and molecular weight 396.23862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]pteridine-2,4,7-triamine
Also Known As: 6-(4-(2-(Diisopropylamino)ethoxy)phenyl)pteridine-2,4,7-triamine, Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)-, 6-(4-(2-(Bis(1-methylethyl)amino)ethoxy)phenyl)pteridine-2,4,7-triamine, 6-[4-[2-(Diisopropylamino)ethoxy]phenyl]-2,4,7-pteridinetriamine, 6-(4-{2-[bis(propan-2-yl)amino]ethoxy}phenyl)pteridine-2,4,7-triamine
| Molecular Formula | C20H28N8O |
| Molecular Weight | 396.23862 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.23862 Da |
| Heavy Atoms | 29 |
| Complexity | 491.0 |
| SMILES | CC(C)N(CCOC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N)C(C)C |
| InChIKey | KGNBUZJQYSESKJ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)-. The TPSA of 142.0 Ų indicates high polarity, suggesting Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)- is 167224-17-1.
The molecular formula of Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)- is C20H28N8O.
The molecular weight of Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)- is 396.23862 g/mol.
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