2-(2-methylsulfanylpyrimidin-5-yl)ethanol

C7H10N2OS — CID 83674449

IUPAC2-(2-methylsulfanylpyrimidin-5-yl)ethanol
SMILESCSc1ncc(CCO)cn1
InChIInChI=1S/C7H10N2OS/c1-11-7-8-4-6(2-3-10)5-9-7/h4-5,10H,2-3H2,1H3
InChIKeyQCXLUHRIKXDRMZ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-methylsulfanylpyrimidin-5-yl)ethanol

2-(2-methylsulfanylpyrimidin-5-yl)ethanol (PubChem CID 83674449) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(2-methylsulfanylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylsulfanylpyrimidin-5-yl)ethanol
PubChem CID83674449
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(2-methylsulfanylpyrimidin-5-yl)ethanol
SMILESCSc1ncc(CCO)cn1
InChIInChI=1S/C7H10N2OS/c1-11-7-8-4-6(2-3-10)5-9-7/h4-5,10H,2-3H2,1H3
InChIKeyQCXLUHRIKXDRMZ-UHFFFAOYSA-N
XLogP0.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpyrimidin-5-yl)ethanol?
The IUPAC name of 2-(2-methylsulfanylpyrimidin-5-yl)ethanol (CID 83674449) is 2-(2-methylsulfanylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-(2-methylsulfanylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2-(2-methylsulfanylpyrimidin-5-yl)ethanol is CSc1ncc(CCO)cn1.
What is the InChIKey of 2-(2-methylsulfanylpyrimidin-5-yl)ethanol?
The InChIKey is QCXLUHRIKXDRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-11-7-8-4-6(2-3-10)5-9-7/h4-5,10H,2-3H2,1H3.
What are the key properties of 2-(2-methylsulfanylpyrimidin-5-yl)ethanol?
2-(2-methylsulfanylpyrimidin-5-yl)ethanol has a molecular weight of 170.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 83674449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).