6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine

C5H6FN3S — CID 134850880

IUPAC6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc([18F])n1
InChIInChI=1S/C5H6FN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)/i6-1
InChIKeyIKJLTMSTNSJYIN-KWCOIAHCSA-N
MW158.19 g/mol
LogP0.92
Rot. Bonds1

About 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine

6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 134850880) has the molecular formula C5H6FN3S and a molecular weight of 158.19 g/mol. Its IUPAC name is 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine
PubChem CID134850880
Molecular FormulaC5H6FN3S
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc([18F])n1
InChIInChI=1S/C5H6FN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)/i6-1
InChIKeyIKJLTMSTNSJYIN-KWCOIAHCSA-N
XLogP0.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine (CID 134850880) is 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc([18F])n1.
What is the InChIKey of 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is IKJLTMSTNSJYIN-KWCOIAHCSA-N. The full InChI is InChI=1S/C5H6FN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)/i6-1.
What are the key properties of 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine?
6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 158.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(18F)fluoro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 134850880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).