TL;DR: 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)- (CAS 151648-40-7) is a chemical compound with molecular formula C21H22N6O2 and molecular weight 390.18042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethyl-1-[3-[(3E)-4-(3-nitrophenyl)buta-1,3-dienyl]phenyl]-1,3,5-triazine-2,4-diamine
Also Known As: 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)-, 6,6-dimethyl-1-[3-[(3E)-4-(3-nitrophenyl)buta-1,3-dienyl]phenyl]-1,3,5-triazine-2,4-diamine, 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-[4-(3-nitrophenyl)-1,3-butadienyl]phenyl]-, NSC 109838
| Molecular Formula | C21H22N6O2 |
| Molecular Weight | 390.18042 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.18042 Da |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
| SMILES | CC1(N=C(N=C(N1C2=CC=CC(=C2)C=C/C=C/C3=CC(=CC=C3)[N+](=O)[O-])N)N)C |
| InChIKey | ZZVOXTZBGFEGTL-QDVFFPICSA-N |
The XLogP value of 3.0 indicates that 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)- has 2 hydrogen bond donor(s) and 3 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, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)- is 151648-40-7.
The molecular formula of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)- is C21H22N6O2.
The molecular weight of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-(3-nitrophenyl)-1,3-butadienyl)phenyl)- is 390.18042 g/mol.
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