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

C9H8FN3S2 — CID 80888144

IUPAC5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C9H8FN3S2/c1-11-9-12-5-6(10)8(13-9)15-7-3-2-4-14-7/h2-5H,1H3,(H,11,12,13)
InChIKeySOSYUFLSOOUIHF-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.87
Rot. Bonds3

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

5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80888144) has the molecular formula C9H8FN3S2 and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine
PubChem CID80888144
Molecular FormulaC9H8FN3S2
Molecular Weight241.32 g/mol
Exact Mass241.01
IUPAC Name5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C9H8FN3S2/c1-11-9-12-5-6(10)8(13-9)15-7-3-2-4-14-7/h2-5H,1H3,(H,11,12,13)
InChIKeySOSYUFLSOOUIHF-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine (CID 80888144) is 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2cccs2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is SOSYUFLSOOUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S2/c1-11-9-12-5-6(10)8(13-9)15-7-3-2-4-14-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80888144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).