[4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol

C13H14N2O2S — CID 83184480

IUPAC[4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol
SMILESCSc1ccc(Oc2ncc(CO)c(C)n2)cc1
InChIInChI=1S/C13H14N2O2S/c1-9-10(8-16)7-14-13(15-9)17-11-3-5-12(18-2)6-4-11/h3-7,16H,8H2,1-2H3
InChIKeyGTNZFDOBPZHIDB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.79
Rot. Bonds4

About [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol

[4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol (PubChem CID 83184480) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol
PubChem CID83184480
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol
SMILESCSc1ccc(Oc2ncc(CO)c(C)n2)cc1
InChIInChI=1S/C13H14N2O2S/c1-9-10(8-16)7-14-13(15-9)17-11-3-5-12(18-2)6-4-11/h3-7,16H,8H2,1-2H3
InChIKeyGTNZFDOBPZHIDB-UHFFFAOYSA-N
XLogP2.79
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol (CID 83184480) is [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol is CSc1ccc(Oc2ncc(CO)c(C)n2)cc1.
What is the InChIKey of [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol?
The InChIKey is GTNZFDOBPZHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-10(8-16)7-14-13(15-9)17-11-3-5-12(18-2)6-4-11/h3-7,16H,8H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol?
[4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol has a molecular weight of 262.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).