2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol

C11H10N2O2S — CID 106973405

IUPAC2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
SMILESCSc1cc(Oc2ccccc2O)ncn1
InChIInChI=1S/C11H10N2O2S/c1-16-11-6-10(12-7-13-11)15-9-5-3-2-4-8(9)14/h2-7,14H,1H3
InChIKeyGQFWRHLCSFDJIS-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.70
Rot. Bonds3

About 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol

2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol (PubChem CID 106973405) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol.

Molecular Properties

Compound Name2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
PubChem CID106973405
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
SMILESCSc1cc(Oc2ccccc2O)ncn1
InChIInChI=1S/C11H10N2O2S/c1-16-11-6-10(12-7-13-11)15-9-5-3-2-4-8(9)14/h2-7,14H,1H3
InChIKeyGQFWRHLCSFDJIS-UHFFFAOYSA-N
XLogP2.70
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691
4-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 67523901
3-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973520
5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 106973111
2-methyl-3-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224160
2-chloro-5-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973535
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
2-(6-fluoroquinoxalin-2-yl)oxyphenol
CID 13328505
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
6-(2-bromophenoxy)pyrimidin-4-amine
CID 80860684

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol?
The IUPAC name of 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol (CID 106973405) is 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol.
What is the SMILES notation for 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol?
The canonical SMILES for 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol is CSc1cc(Oc2ccccc2O)ncn1.
What is the InChIKey of 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol?
The InChIKey is GQFWRHLCSFDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-11-6-10(12-7-13-11)15-9-5-3-2-4-8(9)14/h2-7,14H,1H3.
What are the key properties of 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol?
2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol has a molecular weight of 234.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol is sourced from PubChem (CID 106973405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).