5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190241-99-6) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.10962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
Technical Specifications
| Molecular Formula | C16H19N3O4S |
| Molecular Weight | 349.10962 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.10962 Da |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
| SMILES | CN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CCN2)OC)OC)O |
| InChIKey | MRMMEIYWQIVPNC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190241-99-6.
What is the molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C16H19N3O4S.
What is the molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 349.10962 g/mol.
Where can I buy 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.