1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione
TL;DR: 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione (CAS 5426-45-9) is a chemical compound with molecular formula C8H11N5O2 and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(methylamino)-7H-purine-2,6-dione
Also Known As: 8-methylaminotheophyllin, 8-methylaminotheophylline, 1,3-dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione, 1,3-dimethyl-8-methylamino-7H-purine-2,6-dione, 1,3-dimethyl-8-(methylamino)-7H-purine-2,6-dione
| Molecular Formula | C8H11N5O2 |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.09128 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 5426-45-9 |
|---|---|
| SMILES | CNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | KPSYSSQIKZMIBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione (CAS 5426-45-9), with molecular formula C8H11N5O2 and molecular weight 209.09 g/mol. IUPAC: 1,3-dimethyl-8-(methylamino)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione
Property Insights of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione?
The CAS number of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione is 5426-45-9.
What is the molecular formula of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione?
The molecular formula of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione is C8H11N5O2.
What is the molecular weight of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione?
The molecular weight of 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione is 209.09 g/mol.
Where can I buy 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione?
You can request a quote for 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.