5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C12H10N2OS2 — CID 760981

IUPAC5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C12H10N2OS2/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-4-3-5-16-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyPXOKBYJGEFZQNS-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.33
Rot. Bonds1

About 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 760981) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID760981
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C12H10N2OS2/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-4-3-5-16-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyPXOKBYJGEFZQNS-UHFFFAOYSA-N
XLogP3.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 760981) is 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3cccs3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PXOKBYJGEFZQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-4-3-5-16-8/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 760981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).