1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol

C14H15FN2OS — CID 63835240

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol
SMILESCc1cc(C)nc(Sc2ccc(C(C)O)cc2F)n1
InChIInChI=1S/C14H15FN2OS/c1-8-6-9(2)17-14(16-8)19-13-5-4-11(10(3)18)7-12(13)15/h4-7,10,18H,1-3H3
InChIKeyIQNAYPIZDSWHMI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol

1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol (PubChem CID 63835240) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol
PubChem CID63835240
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol
SMILESCc1cc(C)nc(Sc2ccc(C(C)O)cc2F)n1
InChIInChI=1S/C14H15FN2OS/c1-8-6-9(2)17-14(16-8)19-13-5-4-11(10(3)18)7-12(13)15/h4-7,10,18H,1-3H3
InChIKeyIQNAYPIZDSWHMI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol (CID 63835240) is 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol is Cc1cc(C)nc(Sc2ccc(C(C)O)cc2F)n1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol?
The InChIKey is IQNAYPIZDSWHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-6-9(2)17-14(16-8)19-13-5-4-11(10(3)18)7-12(13)15/h4-7,10,18H,1-3H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol?
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-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 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol is sourced from PubChem (CID 63835240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).