[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol

C12H12N2OS — CID 56722954

IUPAC[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
SMILESCSc1nccc(-c2ccccc2CO)n1
InChIInChI=1S/C12H12N2OS/c1-16-12-13-7-6-11(14-12)10-5-3-2-4-9(10)8-15/h2-7,15H,8H2,1H3
InChIKeyZQDFLWXSYVDCGV-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.36
Rot. Bonds3

About [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol

[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol (PubChem CID 56722954) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
PubChem CID56722954
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
SMILESCSc1nccc(-c2ccccc2CO)n1
InChIInChI=1S/C12H12N2OS/c1-16-12-13-7-6-11(14-12)10-5-3-2-4-9(10)8-15/h2-7,15H,8H2,1H3
InChIKeyZQDFLWXSYVDCGV-UHFFFAOYSA-N
XLogP2.36
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol (CID 56722954) is [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol is CSc1nccc(-c2ccccc2CO)n1.
What is the InChIKey of [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol?
The InChIKey is ZQDFLWXSYVDCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-16-12-13-7-6-11(14-12)10-5-3-2-4-9(10)8-15/h2-7,15H,8H2,1H3.
What are the key properties of [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol?
[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol has a molecular weight of 232.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 56722954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).