3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one

C9H9FN2OS — CID 71007402

IUPAC3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2ccsc2c(=O)n1CCF
InChIInChI=1S/C9H9FN2OS/c1-6-11-7-2-5-14-8(7)9(13)12(6)4-3-10/h2,5H,3-4H2,1H3
InChIKeyQEPHBOBFQYZLHX-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.74
Rot. Bonds2

About 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one

3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 71007402) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID71007402
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2ccsc2c(=O)n1CCF
InChIInChI=1S/C9H9FN2OS/c1-6-11-7-2-5-14-8(7)9(13)12(6)4-3-10/h2,5H,3-4H2,1H3
InChIKeyQEPHBOBFQYZLHX-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one (CID 71007402) is 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one is Cc1nc2ccsc2c(=O)n1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is QEPHBOBFQYZLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-6-11-7-2-5-14-8(7)9(13)12(6)4-3-10/h2,5H,3-4H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 212.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71007402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).