2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile
TL;DR: 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile (CAS 726151-97-9) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetonitrile
Also Known As: (5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-yl)-acetonitrile, 2-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetonitrile, IDI1_007534, 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetonitrile, J2.578.047G
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.66752 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 617.8548 |
Chemical Identifiers
| CAS Number | 726151-97-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)CC#N)C |
Product Overview
2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile (CAS 726151-97-9), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetonitrile.
Chemical Property Profile of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile
Property Insights of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile
The XLogP value of 1.66752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile?
The CAS number of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile is 726151-97-9.
What is the molecular formula of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile?
The molecular formula of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile is C10H9N3OS.
What is the molecular weight of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile?
The molecular weight of 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile is 219.05 g/mol.
Where can I buy 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile?
You can request a quote for 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.