5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine

C8H6FN3S2 — CID 80888554

IUPAC5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C8H6FN3S2/c9-5-4-11-8(10)12-7(5)14-6-2-1-3-13-6/h1-4H,(H2,10,11,12)
InChIKeyAZHJXQHPRDRHAB-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.41
Rot. Bonds2

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

5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80888554) has the molecular formula C8H6FN3S2 and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine
PubChem CID80888554
Molecular FormulaC8H6FN3S2
Molecular Weight227.29 g/mol
Exact Mass227.00
IUPAC Name5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C8H6FN3S2/c9-5-4-11-8(10)12-7(5)14-6-2-1-3-13-6/h1-4H,(H2,10,11,12)
InChIKeyAZHJXQHPRDRHAB-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine (CID 80888554) is 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine is Nc1ncc(F)c(Sc2cccs2)n1.
What is the InChIKey of 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is AZHJXQHPRDRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S2/c9-5-4-11-8(10)12-7(5)14-6-2-1-3-13-6/h1-4H,(H2,10,11,12).
What are the key properties of 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 227.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80888554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).