TL;DR: 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[3,2-d]pyrimidine hydrochloride (CAS 1049735-42-3) is a chemical compound with molecular formula C26H25ClN6O and molecular weight 472.17783 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-phenyl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
Also Known As: 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[3,2-d]pyrimidine hydrochloride, 4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-2-phenyl-benzo[4,5]furo[3,2-d]pyrimidine
| Molecular Formula | C26H25ClN6O |
| Molecular Weight | 472.17783 g/mol |
| XLogP | 5.19824 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.17783 Da |
| Heavy Atoms | 34 |
| Complexity | 641.0 |
| SMILES | CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6)C.Cl |
| InChIKey | VZJDXHMWZVDTDX-UHFFFAOYSA-N |
The XLogP value of 5.19824 indicates that 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[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-phenylbenzofuro[3,2-d]pyrimidine hydrochloride. Following Lipinski's Rule of Five, 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[3,2-d]pyrimidine hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[3,2-d]pyrimidine hydrochloride is 1049735-42-3.
The molecular formula of 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[3,2-d]pyrimidine hydrochloride is C26H25ClN6O.
The molecular weight of 4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-2-phenylbenzofuro[3,2-d]pyrimidine hydrochloride is 472.17783 g/mol.
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