4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

C13H11F3N2OS — CID 1475001

IUPAC4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(Oc2ccc(C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2OS/c1-8-3-5-9(6-4-8)19-11-7-10(13(14,15)16)17-12(18-11)20-2/h3-7H,1-2H3
InChIKeyRYCLYJXXNMYJEI-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.32
Rot. Bonds3

About 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 1475001) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID1475001
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(Oc2ccc(C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2OS/c1-8-3-5-9(6-4-8)19-11-7-10(13(14,15)16)17-12(18-11)20-2/h3-7H,1-2H3
InChIKeyRYCLYJXXNMYJEI-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 1475001) is 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is CSc1nc(Oc2ccc(C)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is RYCLYJXXNMYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-8-3-5-9(6-4-8)19-11-7-10(13(14,15)16)17-12(18-11)20-2/h3-7H,1-2H3.
What are the key properties of 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 300.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1475001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).