TL;DR: 1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one (CAS 127531-80-0) is a chemical compound with molecular formula C16H20N8O and molecular weight 340.176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
Also Known As: BAS 00216381, 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one, BIM-0016025.P001, AB00098593-01, 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenyl-4-imidazolidinone
| Molecular Formula | C16H20N8O |
| Molecular Weight | 340.176 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.176 Da |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
| SMILES | CN(C)C1=NC(=NC(=N1)N2CC(=O)N(C2=N)C3=CC=CC=C3)N(C)C |
| InChIKey | GNZMXKCHEUKJSZ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one. Following Lipinski's Rule of Five, 1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one has 1 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-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is 127531-80-0.
The molecular formula of 1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is C16H20N8O.
The molecular weight of 1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is 340.176 g/mol.
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