(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).