TL;DR: (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine (CAS 152459-75-1) is a chemical compound with molecular formula C15H11N5O2 and molecular weight 293.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
Also Known As: 2-Pyrimidinamine,N-(3-nitrophenyl)-4-(3-pyridinyl)-, (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine, 4-(3-Pyridinyl)-N-(3-nitrophenyl)pyrimidin-2-amine, N-(3-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine, n-(3-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
| Molecular Formula | C15H11N5O2 |
| Molecular Weight | 293.09128 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.09128 Da |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3 |
| InChIKey | HFQHGGZJZTXYKH-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine. Following Lipinski's Rule of Five, (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine is 152459-75-1.
The molecular formula of (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine is C15H11N5O2.
The molecular weight of (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine is 293.09128 g/mol.
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