2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol

C12H11ClN2OS — CID 14273272

IUPAC2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol
SMILESCc1cc(C)nc(Sc2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2OS/c1-7-5-8(2)15-12(14-7)17-9-3-4-11(16)10(13)6-9/h3-6,16H,1-2H3
InChIKeyAQKJLRQRIHNEST-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol

2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol (PubChem CID 14273272) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol.

Molecular Properties

Compound Name2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol
PubChem CID14273272
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol
SMILESCc1cc(C)nc(Sc2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2OS/c1-7-5-8(2)15-12(14-7)17-9-3-4-11(16)10(13)6-9/h3-6,16H,1-2H3
InChIKeyAQKJLRQRIHNEST-UHFFFAOYSA-N
XLogP3.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol?
The IUPAC name of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol (CID 14273272) is 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol.
What is the SMILES notation for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol?
The canonical SMILES for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol is Cc1cc(C)nc(Sc2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol?
The InChIKey is AQKJLRQRIHNEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-5-8(2)15-12(14-7)17-9-3-4-11(16)10(13)6-9/h3-6,16H,1-2H3.
What are the key properties of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol?
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol has a molecular weight of 266.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol is sourced from PubChem (CID 14273272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).