[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol

C13H11F3N2OS — CID 10804142

IUPAC[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
SMILESCSc1nc(C(O)c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2OS/c1-20-12-17-9(7-10(18-12)13(14,15)16)11(19)8-5-3-2-4-6-8/h2-7,11,19H,1H3
InChIKeyOPRAAIGXKHRHEC-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.30
Rot. Bonds3

About [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol

[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol (PubChem CID 10804142) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
PubChem CID10804142
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
SMILESCSc1nc(C(O)c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2OS/c1-20-12-17-9(7-10(18-12)13(14,15)16)11(19)8-5-3-2-4-6-8/h2-7,11,19H,1H3
InChIKeyOPRAAIGXKHRHEC-UHFFFAOYSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol?
The IUPAC name of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol (CID 10804142) is [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol.
What is the SMILES notation for [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol?
The canonical SMILES for [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol is CSc1nc(C(O)c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol?
The InChIKey is OPRAAIGXKHRHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-20-12-17-9(7-10(18-12)13(14,15)16)11(19)8-5-3-2-4-6-8/h2-7,11,19H,1H3.
What are the key properties of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol?
[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol has a molecular weight of 300.31 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 [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol is sourced from PubChem (CID 10804142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).