TL;DR: 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 155581-79-6) is a chemical compound with molecular formula C10H15N5O2 and molecular weight 237.12257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
Also Known As: 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-amino-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione, 8-amino-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione, 8-amino-1,3-dimethyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-Amino-7-isopropyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C10H15N5O2 |
| Molecular Weight | 237.12257 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.12257 Da |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
| SMILES | CC(C)N1C2=C(N=C1N)N(C(=O)N(C2=O)C)C |
| InChIKey | XAZQLGMUWVUUGM-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 155581-79-6.
The molecular formula of 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C10H15N5O2.
The molecular weight of 8-Amino-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 237.12257 g/mol.
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