TL;DR: 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride (CAS 1052519-73-9) is a chemical compound with molecular formula C22H25ClN6O and molecular weight 424.17783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
Also Known As: 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride, 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidine hydrochloride
| Molecular Formula | C22H25ClN6O |
| Molecular Weight | 424.17783 g/mol |
| XLogP | 4.09364 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.17783 Da |
| Heavy Atoms | 30 |
| Complexity | 545.0 |
| SMILES | CCC1=NC2=C(C(=N1)N3CCN(CC3)C4=NC(=CC(=N4)C)C)OC5=CC=CC=C52.Cl |
| InChIKey | RPCHARBWZRCCQN-UHFFFAOYSA-N |
The XLogP value of 4.09364 indicates that 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride. Following Lipinski's Rule of Five, 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride is 1052519-73-9.
The molecular formula of 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride is C22H25ClN6O.
The molecular weight of 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-ethylbenzofuro[3,2-d]pyrimidine hydrochloride is 424.17783 g/mol.
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