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

C12H19F3N4O — CID 141419206

IUPAC5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
SMILESCN(C)CCN(C)c1ccc(N)nc1OCC(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-18(2)6-7-19(3)9-4-5-10(16)17-11(9)20-8-12(13,14)15/h4-5H,6-8H2,1-3H3,(H2,16,17)
InChIKeyQOOXSXQFGIGDSM-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.60
Rot. Bonds6

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

5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine (PubChem CID 141419206) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
PubChem CID141419206
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
SMILESCN(C)CCN(C)c1ccc(N)nc1OCC(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-18(2)6-7-19(3)9-4-5-10(16)17-11(9)20-8-12(13,14)15/h4-5H,6-8H2,1-3H3,(H2,16,17)
InChIKeyQOOXSXQFGIGDSM-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 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine (CID 141419206) is 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine is CN(C)CCN(C)c1ccc(N)nc1OCC(F)(F)F.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The InChIKey is QOOXSXQFGIGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-18(2)6-7-19(3)9-4-5-10(16)17-11(9)20-8-12(13,14)15/h4-5H,6-8H2,1-3H3,(H2,16,17).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
5-N-[2-(dimethylamino)ethyl]-5-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 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine is sourced from PubChem (CID 141419206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).