5-fluoro-2-thiophen-2-ylpyrimidin-4-amine

C8H6FN3S — CID 67266721

IUPAC5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
SMILESNc1nc(-c2cccs2)ncc1F
InChIInChI=1S/C8H6FN3S/c9-5-4-11-8(12-7(5)10)6-2-1-3-13-6/h1-4H,(H2,10,11,12)
InChIKeyFFBJDYQVCAXFQM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.93
Rot. Bonds1

About 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine

5-fluoro-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 67266721) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID67266721
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
SMILESNc1nc(-c2cccs2)ncc1F
InChIInChI=1S/C8H6FN3S/c9-5-4-11-8(12-7(5)10)6-2-1-3-13-6/h1-4H,(H2,10,11,12)
InChIKeyFFBJDYQVCAXFQM-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine (CID 67266721) is 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine is Nc1nc(-c2cccs2)ncc1F.
What is the InChIKey of 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is FFBJDYQVCAXFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-5-4-11-8(12-7(5)10)6-2-1-3-13-6/h1-4H,(H2,10,11,12).
What are the key properties of 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
5-fluoro-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 195.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 67266721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).