TL;DR: 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea (CAS 153465-05-5) is a chemical compound with molecular formula C17H26N8O and molecular weight 358.22296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]-3-phenylurea
Also Known As: 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea, 1-(2-{[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino}ethyl)-3-phenylurea, 1-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]-3-phenylurea
| Molecular Formula | C17H26N8O |
| Molecular Weight | 358.22296 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 358.22296 Da |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
| SMILES | CCNC1=NC(=NC(=N1)NC(C)C)NCCNC(=O)NC2=CC=CC=C2 |
| InChIKey | VCGNMXKXOIFXCL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea is 153465-05-5.
The molecular formula of 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea is C17H26N8O.
The molecular weight of 1-(2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)ethyl)-3-phenylurea is 358.22296 g/mol.
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