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

C19H15F3N2OS — CID 10809520

IUPAC[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol
SMILESCSc1nc(C(F)(F)F)cc(C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H15F3N2OS/c1-26-17-23-15(12-16(24-17)19(20,21)22)18(25,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,25H,1H3
InChIKeyAONLNZOEXMGMNH-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.50
Rot. Bonds4

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

[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol (PubChem CID 10809520) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol
PubChem CID10809520
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC Name[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol
SMILESCSc1nc(C(F)(F)F)cc(C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H15F3N2OS/c1-26-17-23-15(12-16(24-17)19(20,21)22)18(25,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,25H,1H3
InChIKeyAONLNZOEXMGMNH-UHFFFAOYSA-N
XLogP4.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.50
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]-diphenylmethanol?
The IUPAC name of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol (CID 10809520) is [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol?
The canonical SMILES for [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol is CSc1nc(C(F)(F)F)cc(C(O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol?
The InChIKey is AONLNZOEXMGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c1-26-17-23-15(12-16(24-17)19(20,21)22)18(25,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,25H,1H3.
What are the key properties of [2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol?
[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-diphenylmethanol has a molecular weight of 376.40 g/mol, XLogP of 4.50, 4 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]-diphenylmethanol is sourced from PubChem (CID 10809520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).