TL;DR: Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl (CAS 108774-12-5) is a chemical compound with molecular formula C16H21BrN4 and molecular weight 348.09497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
Also Known As: 4-((p-Bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methylpyrimidine, Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl, N-(4-Bromobenzyl)-N-[2-(dimethylamino)ethyl]-6-methyl-4-pyrimidinamine, N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine, N-(p-Bromobenzyl)-N-(6-methyl-4-pyrimidinyl)-N ,N -dimethylethylenediamine
| Molecular Formula | C16H21BrN4 |
| Molecular Weight | 348.09497 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.09497 Da |
| Heavy Atoms | 21 |
| Complexity | 292.0 |
| SMILES | CC1=CC(=NC=N1)N(CCN(C)C)CC2=CC=C(C=C2)Br |
| InChIKey | ZKQMKFUGFPVGKQ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl has 0 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 Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl is 108774-12-5.
The molecular formula of Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl is C16H21BrN4.
The molecular weight of Pyrimidine, 4-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-6-methyl is 348.09497 g/mol.
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