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

C14H20F6N6O — CID 4579491

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1
InChIInChI=1S/C14H20F6N6O/c1-8(2)7-22-10-23-11(26-5-3-21-4-6-26)25-12(24-10)27-9(13(15,16)17)14(18,19)20/h8-9,21H,3-7H2,1-2H3,(H,22,23,24,25)
InChIKeyIAJVOBNXFIHPLP-UHFFFAOYSA-N
MW402.34 g/mol
LogP2.22
Rot. Bonds6

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 4579491) has the molecular formula C14H20F6N6O and a molecular weight of 402.34 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID4579491
Molecular FormulaC14H20F6N6O
Molecular Weight402.34 g/mol
Exact Mass402.16
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1
InChIInChI=1S/C14H20F6N6O/c1-8(2)7-22-10-23-11(26-5-3-21-4-6-26)25-12(24-10)27-9(13(15,16)17)14(18,19)20/h8-9,21H,3-7H2,1-2H3,(H,22,23,24,25)
InChIKeyIAJVOBNXFIHPLP-UHFFFAOYSA-N
XLogP2.22
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 4579491) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine is CC(C)CNc1nc(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)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IAJVOBNXFIHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N6O/c1-8(2)7-22-10-23-11(26-5-3-21-4-6-26)25-12(24-10)27-9(13(15,16)17)14(18,19)20/h8-9,21H,3-7H2,1-2H3,(H,22,23,24,25).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 402.34 g/mol, XLogP of 2.22, 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)-N-(2-methylpropyl)-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 4579491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).