(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol

C15H18N2OS — CID 65041142

IUPAC(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1nc(Sc2ccccc2[C@H](C)O)nc(C)c1C
InChIInChI=1S/C15H18N2OS/c1-9-10(2)16-15(17-11(9)3)19-14-8-6-5-7-13(14)12(4)18/h5-8,12,18H,1-4H3/t12-/m0/s1
InChIKeyUJVKUFXDEQDKSF-LBPRGKRZSA-N
MW274.39 g/mol
LogP3.61
Rot. Bonds3

About (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol

(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol (PubChem CID 65041142) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
PubChem CID65041142
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1nc(Sc2ccccc2[C@H](C)O)nc(C)c1C
InChIInChI=1S/C15H18N2OS/c1-9-10(2)16-15(17-11(9)3)19-14-8-6-5-7-13(14)12(4)18/h5-8,12,18H,1-4H3/t12-/m0/s1
InChIKeyUJVKUFXDEQDKSF-LBPRGKRZSA-N
XLogP3.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-Amino-5-methyl-2-(methylsulfanyl)pyrimidin-4-yl](phenyl)methanol
CID 44580883
4-[(E)-2-(2-amino-6-methylsulfanylpyrimidin-4-yl)ethenyl]phenol
CID 136239348
[2-Methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
CID 10804142
4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropyl-2-methylthiopyrimidine
CID 29980411
1-Phenyl-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-ol
CID 145445026
1-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol
CID 602976
(1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238153
(1S)-1-[2-(4,6-diaminopyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol
CID 55238159
(1S)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
CID 55238720
[4-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol
CID 55238911
1-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
CID 55239101
1-(5-Fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 55239472

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol (CID 65041142) is (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol is Cc1nc(Sc2ccccc2[C@H](C)O)nc(C)c1C.
What is the InChIKey of (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The InChIKey is UJVKUFXDEQDKSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-10(2)16-15(17-11(9)3)19-14-8-6-5-7-13(14)12(4)18/h5-8,12,18H,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol has a molecular weight of 274.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 65041142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).