(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol

C14H16N2OS — CID 55238909

IUPAC(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1cc(C)nc(Sc2ccc([C@@H](C)O)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-9-8-10(2)16-14(15-9)18-13-6-4-12(5-7-13)11(3)17/h4-8,11,17H,1-3H3/t11-/m1/s1
InChIKeyBPYAWXHNRQPDER-LLVKDONJSA-N
MW260.36 g/mol
LogP3.30
Rot. Bonds3

About (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol

(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol (PubChem CID 55238909) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
PubChem CID55238909
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1cc(C)nc(Sc2ccc([C@@H](C)O)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-9-8-10(2)16-14(15-9)18-13-6-4-12(5-7-13)11(3)17/h4-8,11,17H,1-3H3/t11-/m1/s1
InChIKeyBPYAWXHNRQPDER-LLVKDONJSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol (CID 55238909) is (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol is Cc1cc(C)nc(Sc2ccc([C@@H](C)O)cc2)n1.
What is the InChIKey of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The InChIKey is BPYAWXHNRQPDER-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-8-10(2)16-14(15-9)18-13-6-4-12(5-7-13)11(3)17/h4-8,11,17H,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol has a molecular weight of 260.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55238909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).