methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate

C9H10F3N3O2 — CID 66285822

IUPACmethyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c1-5-3-6(13-4-9(10,11)12)15-7(14-5)8(16)17-2/h3H,4H2,1-2H3,(H,13,14,15)
InChIKeyHTKZABZGQZFPMZ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.55
Rot. Bonds3

About methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate (PubChem CID 66285822) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate
PubChem CID66285822
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Namemethyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c1-5-3-6(13-4-9(10,11)12)15-7(14-5)8(16)17-2/h3H,4H2,1-2H3,(H,13,14,15)
InChIKeyHTKZABZGQZFPMZ-UHFFFAOYSA-N
XLogP1.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate (CID 66285822) is methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCC(F)(F)F)n1.
What is the InChIKey of methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate?
The InChIKey is HTKZABZGQZFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5-3-6(13-4-9(10,11)12)15-7(14-5)8(16)17-2/h3H,4H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).