1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 1185126-58-2) is a chemical compound with molecular formula C7H9N5O2 and molecular weight 195.07562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3,7-dimethylpurine-2,6-dione
Also Known As: 5-Amino-3,7-dimethylxanthine, Aminotheobromin, 1-amino-3,7-dimethylpurine-2,6-dione, 5-Amino-3,7-dimethyl Xanthine-d6, 1-AMINO-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9N5O2 |
| Molecular Weight | 195.07562 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.07562 Da |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)N |
| InChIKey | NAVLIYUAMBPQRQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.8 indicates that 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-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 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 1185126-58-2.
What is the molecular formula of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C7H9N5O2.
What is the molecular weight of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 195.07562 g/mol.
Where can I buy 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.