TL;DR: Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- (CAS 74039-25-1) is a chemical compound with molecular formula C5Cl6N2 and molecular weight 297.81927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5-trichloro-6-(trichloromethyl)pyrimidine
Also Known As: 2,4,5-Trichloro-6-(trichloromethyl)pyrimidine, C5Cl6N2, Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)-, 6-trichloromethyl-trichloropyrimidine, 5-23-05-00382 (Beilstein Handbook Reference)
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5Cl6N2 |
| Molecular Weight | 297.81927 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.8163 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | C1(=C(N=C(N=C1Cl)Cl)C(Cl)(Cl)Cl)Cl |
| InChIKey | JVGFZEWOGGVWSU-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- is 74039-25-1.
The molecular formula of Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- is C5Cl6N2.
The molecular weight of Pyrimidine, 2,4,5-trichloro-6-(trichloromethyl)- is 297.81927 g/mol.
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