(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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Related Compounds

1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 62304633
N'-hydroxy-6-methyl-2-(4-propan-2-ylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678340
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915
1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol
CID 55237966
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238900
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylaniline
CID 62304956
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
3-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
CID 2735403

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).