4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C11H18F2N4O — CID 103151162

IUPAC4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N4O/c1-11(2,3)9-15-8(16-10(14)17-9)4-5-18-6-7(12)13/h7H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyGOAPPMOABGFDIB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.58
Rot. Bonds5

About 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151162) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151162
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N4O/c1-11(2,3)9-15-8(16-10(14)17-9)4-5-18-6-7(12)13/h7H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyGOAPPMOABGFDIB-UHFFFAOYSA-N
XLogP1.58
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-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 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151162) is 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is GOAPPMOABGFDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-11(2,3)9-15-8(16-10(14)17-9)4-5-18-6-7(12)13/h7H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 260.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).