4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol

C12H12N2OS — CID 14255269

IUPAC4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol
SMILESCc1cnc(Sc2ccc(O)cc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8-7-13-12(14-9(8)2)16-11-5-3-10(15)4-6-11/h3-7,15H,1-2H3
InChIKeyJHQLXFIWPNXRMK-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.95
Rot. Bonds2

About 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol

4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol (PubChem CID 14255269) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol.

Molecular Properties

Compound Name4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol
PubChem CID14255269
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol
SMILESCc1cnc(Sc2ccc(O)cc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8-7-13-12(14-9(8)2)16-11-5-3-10(15)4-6-11/h3-7,15H,1-2H3
InChIKeyJHQLXFIWPNXRMK-UHFFFAOYSA-N
XLogP2.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol?
The IUPAC name of 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol (CID 14255269) is 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol.
What is the SMILES notation for 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol?
The canonical SMILES for 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol is Cc1cnc(Sc2ccc(O)cc2)nc1C.
What is the InChIKey of 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol?
The InChIKey is JHQLXFIWPNXRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-7-13-12(14-9(8)2)16-11-5-3-10(15)4-6-11/h3-7,15H,1-2H3.
What are the key properties of 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol?
4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol has a molecular weight of 232.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol is sourced from PubChem (CID 14255269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).