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

C13H18F6N6O — CID 3953767

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1
InChIInChI=1S/C13H18F6N6O/c1-2-3-21-9-22-10(25-6-4-20-5-7-25)24-11(23-9)26-8(12(14,15)16)13(17,18)19/h8,20H,2-7H2,1H3,(H,21,22,23,24)
InChIKeyDLZHRNPRMVGEIY-UHFFFAOYSA-N
MW388.32 g/mol
LogP1.98
Rot. Bonds6

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 3953767) has the molecular formula C13H18F6N6O and a molecular weight of 388.32 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine
PubChem CID3953767
Molecular FormulaC13H18F6N6O
Molecular Weight388.32 g/mol
Exact Mass388.14
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1
InChIInChI=1S/C13H18F6N6O/c1-2-3-21-9-22-10(25-6-4-20-5-7-25)24-11(23-9)26-8(12(14,15)16)13(17,18)19/h8,20H,2-7H2,1H3,(H,21,22,23,24)
InChIKeyDLZHRNPRMVGEIY-UHFFFAOYSA-N
XLogP1.98
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
2-(1-Piperazinyl)-4-(1-piperidinyl)-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
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
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
N-methyl-N-{4-(4-morpholinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amine
CID 3435092
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827320

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine (CID 3953767) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is DLZHRNPRMVGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6N6O/c1-2-3-21-9-22-10(25-6-4-20-5-7-25)24-11(23-9)26-8(12(14,15)16)13(17,18)19/h8,20H,2-7H2,1H3,(H,21,22,23,24).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 388.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-1-yl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3953767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).