TL;DR: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CAS 349139-85-1) is a chemical compound with molecular formula C18H21N5O4 and molecular weight 371.15936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
Also Known As: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide, 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
| Molecular Formula | C18H21N5O4 |
| Molecular Weight | 371.15936 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.15936 Da |
| Heavy Atoms | 27 |
| Complexity | 578.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCC3=CC=C(C=C3)OC |
| InChIKey | IUHZMYSBDHIIHO-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide 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-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is 349139-85-1.
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is C18H21N5O4.
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is 371.15936 g/mol.
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