3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one

C9H10N2OS — CID 118280400

IUPAC3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C9H10N2OS/c1-3-11-5-10-8-7(9(11)12)4-6(2)13-8/h4-5H,3H2,1-2H3
InChIKeyBGEXHNIJQWRWFM-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.79
Rot. Bonds1

About 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one

3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 118280400) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID118280400
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C9H10N2OS/c1-3-11-5-10-8-7(9(11)12)4-6(2)13-8/h4-5H,3H2,1-2H3
InChIKeyBGEXHNIJQWRWFM-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one (CID 118280400) is 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one is CCn1cnc2sc(C)cc2c1=O.
What is the InChIKey of 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BGEXHNIJQWRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-3-11-5-10-8-7(9(11)12)4-6(2)13-8/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 194.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 118280400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).