2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol

C13H14N2O2S — CID 107713792

IUPAC2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
SMILESCSc1cc(Oc2ccccc2CCO)ncn1
InChIInChI=1S/C13H14N2O2S/c1-18-13-8-12(14-9-15-13)17-11-5-3-2-4-10(11)6-7-16/h2-5,8-9,16H,6-7H2,1H3
InChIKeyQTNOLDYYWSAXTF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.53
Rot. Bonds5

About 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol

2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol (PubChem CID 107713792) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
PubChem CID107713792
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
SMILESCSc1cc(Oc2ccccc2CCO)ncn1
InChIInChI=1S/C13H14N2O2S/c1-18-13-8-12(14-9-15-13)17-11-5-3-2-4-10(11)6-7-16/h2-5,8-9,16H,6-7H2,1H3
InChIKeyQTNOLDYYWSAXTF-UHFFFAOYSA-N
XLogP2.53
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
CID 106973405
2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107711711
2-[2-[5-(aminomethyl)pyrazin-2-yl]oxyphenyl]ethanol
CID 107711701
[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80879243
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691
2-[2-(5,6,7,8-tetrahydroquinazolin-4-yloxy)phenyl]ethanol
CID 107713809
2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
CID 107712758
6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 107712774
5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide
CID 107712486
2-(2-pyrido[2,3-b]pyrazin-6-yloxyphenyl)ethanol
CID 107713779
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol (CID 107713792) is 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol is CSc1cc(Oc2ccccc2CCO)ncn1.
What is the InChIKey of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol?
The InChIKey is QTNOLDYYWSAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-18-13-8-12(14-9-15-13)17-11-5-3-2-4-10(11)6-7-16/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol?
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol has a molecular weight of 262.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 107713792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).