2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile

C15H10FN3OS — CID 133405453

IUPAC2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
SMILESCCc1nc(Oc2cccc(F)c2C#N)c2ccsc2n1
InChIInChI=1S/C15H10FN3OS/c1-2-13-18-14(9-6-7-21-15(9)19-13)20-12-5-3-4-11(16)10(12)8-17/h3-7H,2H2,1H3
InChIKeyPEIHMKPPHPZZMB-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile

2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile (PubChem CID 133405453) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
PubChem CID133405453
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
SMILESCCc1nc(Oc2cccc(F)c2C#N)c2ccsc2n1
InChIInChI=1S/C15H10FN3OS/c1-2-13-18-14(9-6-7-21-15(9)19-13)20-12-5-3-4-11(16)10(12)8-17/h3-7H,2H2,1H3
InChIKeyPEIHMKPPHPZZMB-UHFFFAOYSA-N
XLogP4.06
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The IUPAC name of 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile (CID 133405453) is 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile is CCc1nc(Oc2cccc(F)c2C#N)c2ccsc2n1.
What is the InChIKey of 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The InChIKey is PEIHMKPPHPZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c1-2-13-18-14(9-6-7-21-15(9)19-13)20-12-5-3-4-11(16)10(12)8-17/h3-7H,2H2,1H3.
What are the key properties of 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile has a molecular weight of 299.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile is sourced from PubChem (CID 133405453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).