4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane

C12H17F3N2O2 — CID 143519467

IUPAC4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane
SMILESCC1CC1.COc1ncnc(OCC(F)(F)F)c1C
InChIInChI=1S/C8H9F3N2O2.C4H8/c1-5-6(14-2)12-4-13-7(5)15-3-8(9,10)11;1-4-2-3-4/h4H,3H2,1-2H3;4H,2-3H2,1H3
InChIKeyYLFYWTHHHXIRNW-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.15
Rot. Bonds3

About 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane

4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane (PubChem CID 143519467) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane
PubChem CID143519467
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane
SMILESCC1CC1.COc1ncnc(OCC(F)(F)F)c1C
InChIInChI=1S/C8H9F3N2O2.C4H8/c1-5-6(14-2)12-4-13-7(5)15-3-8(9,10)11;1-4-2-3-4/h4H,3H2,1-2H3;4H,2-3H2,1H3
InChIKeyYLFYWTHHHXIRNW-UHFFFAOYSA-N
XLogP3.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane?
The IUPAC name of 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane (CID 143519467) is 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane.
What is the SMILES notation for 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane?
The canonical SMILES for 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane is CC1CC1.COc1ncnc(OCC(F)(F)F)c1C.
What is the InChIKey of 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane?
The InChIKey is YLFYWTHHHXIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2.C4H8/c1-5-6(14-2)12-4-13-7(5)15-3-8(9,10)11;1-4-2-3-4/h4H,3H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane?
4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane has a molecular weight of 278.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane is sourced from PubChem (CID 143519467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).