2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane

C14H21F3N2O — CID 176690750

IUPAC2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane
SMILESCC.Cc1cc(OCC2CC(C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C12H15F3N2O.C2H6/c1-7-3-11(17-8(2)16-7)18-6-9-4-10(5-9)12(13,14)15;1-2/h3,9-10H,4-6H2,1-2H3;1-2H3
InChIKeyHRSCOJGWGFDAAF-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.09
Rot. Bonds3

About 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane

2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane (PubChem CID 176690750) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane
PubChem CID176690750
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane
SMILESCC.Cc1cc(OCC2CC(C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C12H15F3N2O.C2H6/c1-7-3-11(17-8(2)16-7)18-6-9-4-10(5-9)12(13,14)15;1-2/h3,9-10H,4-6H2,1-2H3;1-2H3
InChIKeyHRSCOJGWGFDAAF-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane?
The IUPAC name of 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane (CID 176690750) is 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane.
What is the SMILES notation for 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane?
The canonical SMILES for 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane is CC.Cc1cc(OCC2CC(C(F)(F)F)C2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane?
The InChIKey is HRSCOJGWGFDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O.C2H6/c1-7-3-11(17-8(2)16-7)18-6-9-4-10(5-9)12(13,14)15;1-2/h3,9-10H,4-6H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane?
2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane has a molecular weight of 290.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrimidine;ethane is sourced from PubChem (CID 176690750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).