3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol

C8H11FN2O2S — CID 103730045

IUPAC3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1ncnc(SCC(O)CO)c1F
InChIInChI=1S/C8H11FN2O2S/c1-5-7(9)8(11-4-10-5)14-3-6(13)2-12/h4,6,12-13H,2-3H2,1H3
InChIKeyBFUAGSFIIGLSCI-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.37
Rot. Bonds4

About 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol

3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 103730045) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID103730045
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1ncnc(SCC(O)CO)c1F
InChIInChI=1S/C8H11FN2O2S/c1-5-7(9)8(11-4-10-5)14-3-6(13)2-12/h4,6,12-13H,2-3H2,1H3
InChIKeyBFUAGSFIIGLSCI-UHFFFAOYSA-N
XLogP0.37
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 103730045) is 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol is Cc1ncnc(SCC(O)CO)c1F.
What is the InChIKey of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is BFUAGSFIIGLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-5-7(9)8(11-4-10-5)14-3-6(13)2-12/h4,6,12-13H,2-3H2,1H3.
What are the key properties of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 218.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 103730045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).