TL;DR: {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate (CAS 134220-98-7) is a chemical compound with molecular formula C11H17N7O2 and molecular weight 279.14438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]methyl acetate
Also Known As: BAS 00216277, (N-(4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)cyanamido)methyl acetate, [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]methyl acetate, {[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate, Acetic acid [(4,6-bis-dimethylamino-[1,3,5]triazin-2-yl)-cyano-amino]-methyl ester
| Molecular Formula | C11H17N7O2 |
| Molecular Weight | 279.14438 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 98.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.14438 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | CC(=O)OCN(C#N)C1=NC(=NC(=N1)N(C)C)N(C)C |
| InChIKey | NSZNBFUMNXYYMU-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate. Following Lipinski's Rule of Five, {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate is 134220-98-7.
The molecular formula of {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate is C11H17N7O2.
The molecular weight of {[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}methyl acetate is 279.14438 g/mol.
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