2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C12H18F3N5 — CID 59109746

IUPAC2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C12H18F3N5/c1-7(8-5-3-2-4-6-8)17-11-19-9(12(13,14)15)18-10(16)20-11/h7-8H,2-6H2,1H3,(H3,16,17,18,19,20)
InChIKeyUNQDKSQUTMLRNX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.85
Rot. Bonds3

About 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 59109746) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID59109746
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C12H18F3N5/c1-7(8-5-3-2-4-6-8)17-11-19-9(12(13,14)15)18-10(16)20-11/h7-8H,2-6H2,1H3,(H3,16,17,18,19,20)
InChIKeyUNQDKSQUTMLRNX-UHFFFAOYSA-N
XLogP2.85
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 59109746) is 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UNQDKSQUTMLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-7(8-5-3-2-4-6-8)17-11-19-9(12(13,14)15)18-10(16)20-11/h7-8H,2-6H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclohexylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59109746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).