ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine

C9H13F3N2O — CID 143883331

IUPACethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC.Cc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C7H7F3N2O.C2H6/c1-5-2-6(12-4-11-5)13-3-7(8,9)10;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyZJJGAFURKXATRP-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.75
Rot. Bonds2

About ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine

ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 143883331) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID143883331
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Nameethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC.Cc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C7H7F3N2O.C2H6/c1-5-2-6(12-4-11-5)13-3-7(8,9)10;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyZJJGAFURKXATRP-UHFFFAOYSA-N
XLogP2.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 143883331) is ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine is CC.Cc1cc(OCC(F)(F)F)ncn1.
What is the InChIKey of ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is ZJJGAFURKXATRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.C2H6/c1-5-2-6(12-4-11-5)13-3-7(8,9)10;1-2/h2,4H,3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 222.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 143883331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).