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

C14H15FN2OS — CID 63835855

IUPAC(1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol
SMILESCc1cc(C)nc(Sc2cccc(F)c2[C@@H](C)O)n1
InChIInChI=1S/C14H15FN2OS/c1-8-7-9(2)17-14(16-8)19-12-6-4-5-11(15)13(12)10(3)18/h4-7,10,18H,1-3H3/t10-/m1/s1
InChIKeySIJQDTMPHSHXKT-SNVBAGLBSA-N
MW278.35 g/mol
LogP3.44
Rot. Bonds3

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

(1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol (PubChem CID 63835855) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol
PubChem CID63835855
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol
SMILESCc1cc(C)nc(Sc2cccc(F)c2[C@@H](C)O)n1
InChIInChI=1S/C14H15FN2OS/c1-8-7-9(2)17-14(16-8)19-12-6-4-5-11(15)13(12)10(3)18/h4-7,10,18H,1-3H3/t10-/m1/s1
InChIKeySIJQDTMPHSHXKT-SNVBAGLBSA-N
XLogP3.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]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 (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol (CID 63835855) is (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol is Cc1cc(C)nc(Sc2cccc(F)c2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol?
The InChIKey is SIJQDTMPHSHXKT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-7-9(2)17-14(16-8)19-12-6-4-5-11(15)13(12)10(3)18/h4-7,10,18H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol?
(1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol has a molecular weight of 278.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol is sourced from PubChem (CID 63835855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).