1-(2-methylsulfanylpyrimidin-4-yl)ethanol

C7H10N2OS — CID 59892248

IUPAC1-(2-methylsulfanylpyrimidin-4-yl)ethanol
SMILESCSc1nccc(C(C)O)n1
InChIInChI=1S/C7H10N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-5,10H,1-2H3
InChIKeyABZAWQICTDXGCR-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.25
Rot. Bonds2

About 1-(2-methylsulfanylpyrimidin-4-yl)ethanol

1-(2-methylsulfanylpyrimidin-4-yl)ethanol (PubChem CID 59892248) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(2-methylsulfanylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylsulfanylpyrimidin-4-yl)ethanol
PubChem CID59892248
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(2-methylsulfanylpyrimidin-4-yl)ethanol
SMILESCSc1nccc(C(C)O)n1
InChIInChI=1S/C7H10N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-5,10H,1-2H3
InChIKeyABZAWQICTDXGCR-UHFFFAOYSA-N
XLogP1.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)ethanol?
The IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)ethanol (CID 59892248) is 1-(2-methylsulfanylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 1-(2-methylsulfanylpyrimidin-4-yl)ethanol?
The canonical SMILES for 1-(2-methylsulfanylpyrimidin-4-yl)ethanol is CSc1nccc(C(C)O)n1.
What is the InChIKey of 1-(2-methylsulfanylpyrimidin-4-yl)ethanol?
The InChIKey is ABZAWQICTDXGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-5,10H,1-2H3.
What are the key properties of 1-(2-methylsulfanylpyrimidin-4-yl)ethanol?
1-(2-methylsulfanylpyrimidin-4-yl)ethanol has a molecular weight of 170.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 59892248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).