TL;DR: 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)- (CAS 111535-32-1) is a chemical compound with molecular formula C12H14ClN5 and molecular weight 263.09378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-4-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
Also Known As: 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)-, 6-chloro-4-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine, 6-Chloro-N~4~-methyl-N~2~-(1-phenylethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
| Molecular Formula | C12H14ClN5 |
| Molecular Weight | 263.09378 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.09378 Da |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
| SMILES | CC(C1=CC=CC=C1)NC2=NC(=NC(=N2)NC)Cl |
| InChIKey | AHOWMTLUNICVQC-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)- is 111535-32-1.
The molecular formula of 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)- is C12H14ClN5.
The molecular weight of 1,3,5-Triazine-2,4-diamine, 6-chloro-N-methyl-N'-(1-phenylethyl)- is 263.09378 g/mol.
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