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

C19H10FN3OS — CID 24995903

IUPAC4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc(-c3ccc(F)cc3)nc3ccsc23)cc1
InChIInChI=1S/C19H10FN3OS/c20-14-5-3-13(4-6-14)18-22-16-9-10-25-17(16)19(23-18)24-15-7-1-12(11-21)2-8-15/h1-10H
InChIKeyYUHJFEBWMZLOPW-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.16
Rot. Bonds3

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

4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile (PubChem CID 24995903) has the molecular formula C19H10FN3OS and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile
PubChem CID24995903
Molecular FormulaC19H10FN3OS
Molecular Weight347.37 g/mol
Exact Mass347.05
IUPAC Name4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc(-c3ccc(F)cc3)nc3ccsc23)cc1
InChIInChI=1S/C19H10FN3OS/c20-14-5-3-13(4-6-14)18-22-16-9-10-25-17(16)19(23-18)24-15-7-1-12(11-21)2-8-15/h1-10H
InChIKeyYUHJFEBWMZLOPW-UHFFFAOYSA-N
XLogP5.16
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile (CID 24995903) is 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile is N#Cc1ccc(Oc2nc(-c3ccc(F)cc3)nc3ccsc23)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is YUHJFEBWMZLOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN3OS/c20-14-5-3-13(4-6-14)18-22-16-9-10-25-17(16)19(23-18)24-15-7-1-12(11-21)2-8-15/h1-10H.
What are the key properties of 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile?
4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 347.37 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 24995903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).