5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine

C6H8FN3S — CID 21077592

IUPAC5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1nc(SC)ncc1F
InChIInChI=1S/C6H8FN3S/c1-8-5-4(7)3-9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10)
InChIKeyJTNIWTJCYIXWAE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.38
Rot. Bonds2

About 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine

5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 21077592) has the molecular formula C6H8FN3S and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID21077592
Molecular FormulaC6H8FN3S
Molecular Weight173.22 g/mol
Exact Mass173.04
IUPAC Name5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1nc(SC)ncc1F
InChIInChI=1S/C6H8FN3S/c1-8-5-4(7)3-9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10)
InChIKeyJTNIWTJCYIXWAE-UHFFFAOYSA-N
XLogP1.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 21077592) is 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1nc(SC)ncc1F.
What is the InChIKey of 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is JTNIWTJCYIXWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3S/c1-8-5-4(7)3-9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10).
What are the key properties of 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 173.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 21077592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).