methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate

C11H14F3N3O3 — CID 66285267

IUPACmethyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-7-5-8(17-9(16-7)10(18)19-2)15-3-4-20-6-11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyLTKUPJCEBYBFKH-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.56
Rot. Bonds6

About methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate (PubChem CID 66285267) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate
PubChem CID66285267
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Namemethyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-7-5-8(17-9(16-7)10(18)19-2)15-3-4-20-6-11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyLTKUPJCEBYBFKH-UHFFFAOYSA-N
XLogP1.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate (CID 66285267) is methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCOCC(F)(F)F)n1.
What is the InChIKey of methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate?
The InChIKey is LTKUPJCEBYBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-7-5-8(17-9(16-7)10(18)19-2)15-3-4-20-6-11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate has a molecular weight of 293.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).