2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C8H12F3N5 — CID 3041966

IUPAC2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-7(2,3)16-6-14-4(8(9,10)11)13-5(12)15-6/h1-3H3,(H3,12,13,14,15,16)
InChIKeyYABBJRBITDWXOZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.68
Rot. Bonds1

About 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3041966) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID3041966
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-7(2,3)16-6-14-4(8(9,10)11)13-5(12)15-6/h1-3H3,(H3,12,13,14,15,16)
InChIKeyYABBJRBITDWXOZ-UHFFFAOYSA-N
XLogP1.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-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-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 3041966) is 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YABBJRBITDWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c1-7(2,3)16-6-14-4(8(9,10)11)13-5(12)15-6/h1-3H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 235.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3041966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).