2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol

C7H9FN2OS — CID 103634671

IUPAC2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol
SMILESCc1ncnc(SCCO)c1F
InChIInChI=1S/C7H9FN2OS/c1-5-6(8)7(10-4-9-5)12-3-2-11/h4,11H,2-3H2,1H3
InChIKeyFTOQZFKENRRLRT-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.01
Rot. Bonds3

About 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol

2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol (PubChem CID 103634671) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol
PubChem CID103634671
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC Name2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol
SMILESCc1ncnc(SCCO)c1F
InChIInChI=1S/C7H9FN2OS/c1-5-6(8)7(10-4-9-5)12-3-2-11/h4,11H,2-3H2,1H3
InChIKeyFTOQZFKENRRLRT-UHFFFAOYSA-N
XLogP1.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol (CID 103634671) is 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol is Cc1ncnc(SCCO)c1F.
What is the InChIKey of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is FTOQZFKENRRLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-5-6(8)7(10-4-9-5)12-3-2-11/h4,11H,2-3H2,1H3.
What are the key properties of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol?
2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 188.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 103634671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).