2-(fluoromethyl)thieno[2,3-d]pyrimidine

C7H5FN2S — CID 140996802

IUPAC2-(fluoromethyl)thieno[2,3-d]pyrimidine
SMILESFCc1ncc2ccsc2n1
InChIInChI=1S/C7H5FN2S/c8-3-6-9-4-5-1-2-11-7(5)10-6/h1-2,4H,3H2
InChIKeyYESOUFHJBUKAKG-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.16
Rot. Bonds1

About 2-(fluoromethyl)thieno[2,3-d]pyrimidine

2-(fluoromethyl)thieno[2,3-d]pyrimidine (PubChem CID 140996802) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(fluoromethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(fluoromethyl)thieno[2,3-d]pyrimidine
PubChem CID140996802
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name2-(fluoromethyl)thieno[2,3-d]pyrimidine
SMILESFCc1ncc2ccsc2n1
InChIInChI=1S/C7H5FN2S/c8-3-6-9-4-5-1-2-11-7(5)10-6/h1-2,4H,3H2
InChIKeyYESOUFHJBUKAKG-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-(fluoromethyl)thieno[2,3-d]pyrimidine (CID 140996802) is 2-(fluoromethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(fluoromethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(fluoromethyl)thieno[2,3-d]pyrimidine is FCc1ncc2ccsc2n1.
What is the InChIKey of 2-(fluoromethyl)thieno[2,3-d]pyrimidine?
The InChIKey is YESOUFHJBUKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-3-6-9-4-5-1-2-11-7(5)10-6/h1-2,4H,3H2.
What are the key properties of 2-(fluoromethyl)thieno[2,3-d]pyrimidine?
2-(fluoromethyl)thieno[2,3-d]pyrimidine has a molecular weight of 168.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 140996802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).