5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine

C11H10FN3S — CID 80883912

IUPAC5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine
SMILESCc1ccc(Sc2nc(N)ncc2F)cc1
InChIInChI=1S/C11H10FN3S/c1-7-2-4-8(5-3-7)16-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyWWFXRRDJVAJLGF-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.66
Rot. Bonds2

About 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine

5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine (PubChem CID 80883912) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine
PubChem CID80883912
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine
SMILESCc1ccc(Sc2nc(N)ncc2F)cc1
InChIInChI=1S/C11H10FN3S/c1-7-2-4-8(5-3-7)16-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyWWFXRRDJVAJLGF-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine (CID 80883912) is 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine is Cc1ccc(Sc2nc(N)ncc2F)cc1.
What is the InChIKey of 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The InChIKey is WWFXRRDJVAJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S/c1-7-2-4-8(5-3-7)16-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80883912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).