2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C12H18F3N3O — CID 55006945

IUPAC2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCOc1nc(N(CC)CC(F)(F)F)ccc1N
InChIInChI=1S/C12H18F3N3O/c1-3-7-19-11-9(16)5-6-10(17-11)18(4-2)8-12(13,14)15/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyAJFJUCLLKPPYLX-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.84
Rot. Bonds6

About 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 55006945) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID55006945
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCOc1nc(N(CC)CC(F)(F)F)ccc1N
InChIInChI=1S/C12H18F3N3O/c1-3-7-19-11-9(16)5-6-10(17-11)18(4-2)8-12(13,14)15/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyAJFJUCLLKPPYLX-UHFFFAOYSA-N
XLogP2.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 55006945) is 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCCOc1nc(N(CC)CC(F)(F)F)ccc1N.
What is the InChIKey of 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is AJFJUCLLKPPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-7-19-11-9(16)5-6-10(17-11)18(4-2)8-12(13,14)15/h5-6H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 277.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 55006945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).