4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine

C13H18F6N6O — CID 4296765

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)NC1=NC(=NC(=N1)OC(C(F)(F)F)C(F)(F)F)N2CCNCC2
InChIInChI=1S/C13H18F6N6O/c1-7(2)21-9-22-10(25-5-3-20-4-6-25)24-11(23-9)26-8(12(14,15)16)13(17,18)19/h7-8,20H,3-6H2,1-2H3,(H,21,22,23,24)
InChIKeyUENVCLRBKYXEBS-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.50
Rot. Bonds5

About 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine

4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 4296765) has the molecular formula C13H18F6N6O and a molecular weight of 388.31 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID4296765
Molecular FormulaC13H18F6N6O
Molecular Weight388.31 g/mol
Exact Mass388.14
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)NC1=NC(=NC(=N1)OC(C(F)(F)F)C(F)(F)F)N2CCNCC2
InChIInChI=1S/C13H18F6N6O/c1-7(2)21-9-22-10(25-5-3-20-4-6-25)24-11(23-9)26-8(12(14,15)16)13(17,18)19/h7-8,20H,3-6H2,1-2H3,(H,21,22,23,24)
InChIKeyUENVCLRBKYXEBS-UHFFFAOYSA-N
XLogP3.50
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms26
Complexity428

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
2,4-Bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 3912928
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1113192
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507
(Methylpropyl){4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy](1,3,5-triazin-2-yl)}amine
CID 3094637
N-methyl-N-{4-(4-morpholinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amine
CID 3435092
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 3953767
N'-butyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N,N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-isopropylamino-
CID 635146
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115548

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine (CID 4296765) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine is CC(C)NC1=NC(=NC(=N1)OC(C(F)(F)F)C(F)(F)F)N2CCNCC2.
What is the InChIKey of 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is UENVCLRBKYXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6N6O/c1-7(2)21-9-22-10(25-5-3-20-4-6-25)24-11(23-9)26-8(12(14,15)16)13(17,18)19/h7-8,20H,3-6H2,1-2H3,(H,21,22,23,24).
What are the key properties of 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine?
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 388.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 4296765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).