TL;DR: 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine (CAS 670270-94-7) is a chemical compound with molecular formula C25H26N4S and molecular weight 414.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-benzylpiperazin-1-yl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
Also Known As: 4-(4-benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine, 4-(4-benzylpiperazin-1-yl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine, F1143-1530, 1-BENZYL-4-[6-METHYL-5-(4-METHYLPHENYL)THIENO[2,3-D]PYRIMIDIN-4-YL]PIPERAZINE
| Molecular Formula | C25H26N4S |
| Molecular Weight | 414.1878 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1878 Da |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
| SMILES | CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCN(CC4)CC5=CC=CC=C5)C |
| InChIKey | KLWKCPUCEZWGCN-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine is 670270-94-7.
The molecular formula of 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine is C25H26N4S.
The molecular weight of 4-(4-Benzylpiperazin-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine is 414.1878 g/mol.
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