5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine

C12H12FN3S — CID 80883053

IUPAC5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1ccc(F)cc1
InChIInChI=1S/C12H12FN3S/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyIQEKSWFBBLVAEH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.91
Rot. Bonds3

About 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine

5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine (PubChem CID 80883053) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
PubChem CID80883053
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1ccc(F)cc1
InChIInChI=1S/C12H12FN3S/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyIQEKSWFBBLVAEH-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine (CID 80883053) is 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine is CCc1c(N)ncnc1Sc1ccc(F)cc1.
What is the InChIKey of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
The InChIKey is IQEKSWFBBLVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80883053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).