[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

C15H18N2O2S — CID 63648556

IUPAC[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCSc1ccccc1Oc1cnc(C(C)C)nc1CO
InChIInChI=1S/C15H18N2O2S/c1-10(2)15-16-8-13(11(9-18)17-15)19-12-6-4-5-7-14(12)20-3/h4-8,10,18H,9H2,1-3H3
InChIKeyLIAIJNNSGVCMIN-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.61
Rot. Bonds5

About [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 63648556) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID63648556
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCSc1ccccc1Oc1cnc(C(C)C)nc1CO
InChIInChI=1S/C15H18N2O2S/c1-10(2)15-16-8-13(11(9-18)17-15)19-12-6-4-5-7-14(12)20-3/h4-8,10,18H,9H2,1-3H3
InChIKeyLIAIJNNSGVCMIN-UHFFFAOYSA-N
XLogP3.61
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 63648556) is [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CSc1ccccc1Oc1cnc(C(C)C)nc1CO.
What is the InChIKey of [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is LIAIJNNSGVCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)15-16-8-13(11(9-18)17-15)19-12-6-4-5-7-14(12)20-3/h4-8,10,18H,9H2,1-3H3.
What are the key properties of [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 290.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 63648556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).