4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine

C11H17F3N6 — CID 80847820

IUPAC4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H17F3N6/c1-19(2)9-16-8(15)17-10(18-9)20-5-3-4-7(6-20)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyNFWBWUMUTWDFKF-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.30
Rot. Bonds2

About 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine

4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 80847820) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID80847820
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Name4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H17F3N6/c1-19(2)9-16-8(15)17-10(18-9)20-5-3-4-7(6-20)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyNFWBWUMUTWDFKF-UHFFFAOYSA-N
XLogP1.30
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-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 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 80847820) is 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NFWBWUMUTWDFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6/c1-19(2)9-16-8(15)17-10(18-9)20-5-3-4-7(6-20)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 290.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80847820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).