2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine

C13H20F4N4O — CID 141419194

IUPAC2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
SMILESCNC(CCF)CN(C)c1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C13H20F4N4O/c1-19-9(5-6-14)7-21(2)11-4-3-10(18)12(20-11)22-8-13(15,16)17/h3-4,9,19H,5-8,18H2,1-2H3
InChIKeyQIUQRPMQZHNQHC-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.99
Rot. Bonds8

About 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine

2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine (PubChem CID 141419194) has the molecular formula C13H20F4N4O and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
PubChem CID141419194
Molecular FormulaC13H20F4N4O
Molecular Weight324.32 g/mol
Exact Mass324.16
IUPAC Name2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
SMILESCNC(CCF)CN(C)c1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C13H20F4N4O/c1-19-9(5-6-14)7-21(2)11-4-3-10(18)12(20-11)22-8-13(15,16)17/h3-4,9,19H,5-8,18H2,1-2H3
InChIKeyQIUQRPMQZHNQHC-UHFFFAOYSA-N
XLogP1.99
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine (CID 141419194) is 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine is CNC(CCF)CN(C)c1ccc(N)c(OCC(F)(F)F)n1.
What is the InChIKey of 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
The InChIKey is QIUQRPMQZHNQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4N4O/c1-19-9(5-6-14)7-21(2)11-4-3-10(18)12(20-11)22-8-13(15,16)17/h3-4,9,19H,5-8,18H2,1-2H3.
What are the key properties of 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine?
2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine has a molecular weight of 324.32 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine is sourced from PubChem (CID 141419194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).