N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine

C14H20F6N6O — CID 5029923

IUPACN-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1
InChIInChI=1S/C14H20F6N6O/c1-2-3-4-22-10-23-11(26-7-5-21-6-8-26)25-12(24-10)27-9(13(15,16)17)14(18,19)20/h9,21H,2-8H2,1H3,(H,22,23,24,25)
InChIKeyBKCZECLCJIGYJF-UHFFFAOYSA-N
MW402.34 g/mol
LogP2.37
Rot. Bonds7

About N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine

N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 5029923) has the molecular formula C14H20F6N6O and a molecular weight of 402.34 g/mol. Its IUPAC name is N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID5029923
Molecular FormulaC14H20F6N6O
Molecular Weight402.34 g/mol
Exact Mass402.16
IUPAC NameN-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1
InChIInChI=1S/C14H20F6N6O/c1-2-3-4-22-10-23-11(26-7-5-21-6-8-26)25-12(24-10)27-9(13(15,16)17)14(18,19)20/h9,21H,2-8H2,1H3,(H,22,23,24,25)
InChIKeyBKCZECLCJIGYJF-UHFFFAOYSA-N
XLogP2.37
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
2-(Piperazin-1-yl)-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 2826887
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-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
4-(azepan-1-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-propyl-1,3,5-triazin-2-amine
CID 3251709
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-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 5029923) is N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine is CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1.
What is the InChIKey of N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BKCZECLCJIGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N6O/c1-2-3-4-22-10-23-11(26-7-5-21-6-8-26)25-12(24-10)27-9(13(15,16)17)14(18,19)20/h9,21H,2-8H2,1H3,(H,22,23,24,25).
What are the key properties of N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 402.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5029923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).