2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol

C14H11FN2O2S — CID 68534883

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
SMILESOCCOc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H11FN2O2S/c15-10-3-1-9(2-4-10)11-7-20-14-12(11)13(16-8-17-14)19-6-5-18/h1-4,7-8,18H,5-6H2
InChIKeyVQMWZFNBSMBLKW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol (PubChem CID 68534883) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
PubChem CID68534883
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
SMILESOCCOc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H11FN2O2S/c15-10-3-1-9(2-4-10)11-7-20-14-12(11)13(16-8-17-14)19-6-5-18/h1-4,7-8,18H,5-6H2
InChIKeyVQMWZFNBSMBLKW-UHFFFAOYSA-N
XLogP2.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol (CID 68534883) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol is OCCOc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol?
The InChIKey is VQMWZFNBSMBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-10-3-1-9(2-4-10)11-7-20-14-12(11)13(16-8-17-14)19-6-5-18/h1-4,7-8,18H,5-6H2.
What are the key properties of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol has a molecular weight of 290.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 68534883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).