5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine

C16H20F4N4 — CID 156729966

IUPAC5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine
SMILESCC(C)C(/C=N/CC(F)(F)F)=C(/N)c1ccc(NC2CC2)nc1F
InChIInChI=1S/C16H20F4N4/c1-9(2)12(7-22-8-16(18,19)20)14(21)11-5-6-13(24-15(11)17)23-10-3-4-10/h5-7,9-10H,3-4,8,21H2,1-2H3,(H,23,24)/b14-12+,22-7+
InChIKeyYUALCGRHSUCOGU-LPNLQVQXSA-N
MW344.36 g/mol
LogP3.75
Rot. Bonds6

About 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine

5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine (PubChem CID 156729966) has the molecular formula C16H20F4N4 and a molecular weight of 344.36 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine
PubChem CID156729966
Molecular FormulaC16H20F4N4
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Name5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine
SMILESCC(C)C(/C=N/CC(F)(F)F)=C(/N)c1ccc(NC2CC2)nc1F
InChIInChI=1S/C16H20F4N4/c1-9(2)12(7-22-8-16(18,19)20)14(21)11-5-6-13(24-15(11)17)23-10-3-4-10/h5-7,9-10H,3-4,8,21H2,1-2H3,(H,23,24)/b14-12+,22-7+
InChIKeyYUALCGRHSUCOGU-LPNLQVQXSA-N
XLogP3.75
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine 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 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine?
The IUPAC name of 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine (CID 156729966) is 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine.
What is the SMILES notation for 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine?
The canonical SMILES for 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine is CC(C)C(/C=N/CC(F)(F)F)=C(/N)c1ccc(NC2CC2)nc1F.
What is the InChIKey of 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine?
The InChIKey is YUALCGRHSUCOGU-LPNLQVQXSA-N. The full InChI is InChI=1S/C16H20F4N4/c1-9(2)12(7-22-8-16(18,19)20)14(21)11-5-6-13(24-15(11)17)23-10-3-4-10/h5-7,9-10H,3-4,8,21H2,1-2H3,(H,23,24)/b14-12+,22-7+.
What are the key properties of 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine?
5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine has a molecular weight of 344.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine is sourced from PubChem (CID 156729966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).