2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol

C8H11FN2OS — CID 103705219

IUPAC2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCc1ncnc(SC(C)CO)c1F
InChIInChI=1S/C8H11FN2OS/c1-5(3-12)13-8-7(9)6(2)10-4-11-8/h4-5,12H,3H2,1-2H3
InChIKeyZKAZRFLSNLBQAH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.40
Rot. Bonds3

About 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol

2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 103705219) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID103705219
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCc1ncnc(SC(C)CO)c1F
InChIInChI=1S/C8H11FN2OS/c1-5(3-12)13-8-7(9)6(2)10-4-11-8/h4-5,12H,3H2,1-2H3
InChIKeyZKAZRFLSNLBQAH-UHFFFAOYSA-N
XLogP1.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.40
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)sulfanylpropan-1-ol?
The IUPAC name of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol (CID 103705219) is 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol is Cc1ncnc(SC(C)CO)c1F.
What is the InChIKey of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is ZKAZRFLSNLBQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-5(3-12)13-8-7(9)6(2)10-4-11-8/h4-5,12H,3H2,1-2H3.
What are the key properties of 2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
2-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 202.25 g/mol, XLogP of 1.40, 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)sulfanylpropan-1-ol is sourced from PubChem (CID 103705219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).