6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C11H16F3N3O — CID 43261087

IUPAC6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)18-9-7(15)4-5-8(17-9)16-6-11(12,13)14/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyWDCGBXBAFFOFQE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.82
Rot. Bonds3

About 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 43261087) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID43261087
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)18-9-7(15)4-5-8(17-9)16-6-11(12,13)14/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyWDCGBXBAFFOFQE-UHFFFAOYSA-N
XLogP2.82
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 43261087) is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CC(C)(C)Oc1nc(NCC(F)(F)F)ccc1N.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is WDCGBXBAFFOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(2,3)18-9-7(15)4-5-8(17-9)16-6-11(12,13)14/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).