TL;DR: 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CAS 157862-84-5) is a chemical compound with molecular formula C18H14N4S and molecular weight 318.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
Also Known As: PDE5-IN-9, 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine, 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine, [2-(3-pyridyl)quinazolin-4-yl]-(2-thenyl)amine, 2-(3-pyridyl)-N-(2-thienylmethyl)quinazolin-4-amine
| Molecular Formula | C18H14N4S |
| Molecular Weight | 318.0939 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0939 Da |
| Heavy Atoms | 23 |
| Complexity | 380.0 |
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4 |
| InChIKey | LOPGUWAPDVMPKH-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine. Following Lipinski's Rule of Five, 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is 157862-84-5.
The molecular formula of 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is C18H14N4S.
The molecular weight of 2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is 318.0939 g/mol.
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