2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine

C19H15F3N2OS — CID 68823165

IUPAC2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCSc1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F3N2OS/c1-26-18-23-16(14-8-5-9-15(10-14)19(20,21)22)11-17(24-18)25-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyHVOAUESZSOOXPM-UHFFFAOYSA-N
MW376.40 g/mol
LogP5.46
Rot. Bonds5

About 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine

2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 68823165) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID68823165
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC Name2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCSc1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F3N2OS/c1-26-18-23-16(14-8-5-9-15(10-14)19(20,21)22)11-17(24-18)25-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyHVOAUESZSOOXPM-UHFFFAOYSA-N
XLogP5.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 68823165) is 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine is CSc1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is HVOAUESZSOOXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c1-26-18-23-16(14-8-5-9-15(10-14)19(20,21)22)11-17(24-18)25-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 376.40 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 68823165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).