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

C12H18F3N3O — CID 55006944

IUPAC2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCN(CC(F)(F)F)c1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C12H18F3N3O/c1-4-18(7-12(13,14)15)10-6-5-9(16)11(17-10)19-8(2)3/h5-6,8H,4,7,16H2,1-3H3
InChIKeyGDCSZTNNDXNYKL-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.84
Rot. Bonds5

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

2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 55006944) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID55006944
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCN(CC(F)(F)F)c1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C12H18F3N3O/c1-4-18(7-12(13,14)15)10-6-5-9(16)11(17-10)19-8(2)3/h5-6,8H,4,7,16H2,1-3H3
InChIKeyGDCSZTNNDXNYKL-UHFFFAOYSA-N
XLogP2.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 55006944) is 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCN(CC(F)(F)F)c1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is GDCSZTNNDXNYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-18(7-12(13,14)15)10-6-5-9(16)11(17-10)19-8(2)3/h5-6,8H,4,7,16H2,1-3H3.
What are the key properties of 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 277.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 55006944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).