2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine

C12H19F3N4O — CID 141419228

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
SMILESCN(C)CCN(C)c1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-18(2)6-7-19(3)10-5-4-9(16)11(17-10)20-8-12(13,14)15/h4-5H,6-8,16H2,1-3H3
InChIKeyFJQJJZXYXPCLFJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.60
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine (PubChem CID 141419228) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
PubChem CID141419228
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
SMILESCN(C)CCN(C)c1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-18(2)6-7-19(3)10-5-4-9(16)11(17-10)20-8-12(13,14)15/h4-5H,6-8,16H2,1-3H3
InChIKeyFJQJJZXYXPCLFJ-UHFFFAOYSA-N
XLogP1.60
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine (CID 141419228) is 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine is CN(C)CCN(C)c1ccc(N)c(OCC(F)(F)F)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The InChIKey is FJQJJZXYXPCLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-18(2)6-7-19(3)10-5-4-9(16)11(17-10)20-8-12(13,14)15/h4-5H,6-8,16H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine has a molecular weight of 292.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine is sourced from PubChem (CID 141419228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).