6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C9H14F3N5O — CID 80786583

IUPAC6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)F)nc(OCC)n1
InChIInChI=1S/C9H14F3N5O/c1-3-13-6-15-7(14-5-9(10,11)12)17-8(16-6)18-4-2/h3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKTMBJKKKQFOAAJ-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.68
Rot. Bonds6

About 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80786583) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80786583
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)F)nc(OCC)n1
InChIInChI=1S/C9H14F3N5O/c1-3-13-6-15-7(14-5-9(10,11)12)17-8(16-6)18-4-2/h3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKTMBJKKKQFOAAJ-UHFFFAOYSA-N
XLogP1.68
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80786583) is 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC(F)(F)F)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KTMBJKKKQFOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-3-13-6-15-7(14-5-9(10,11)12)17-8(16-6)18-4-2/h3-5H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 265.24 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80786583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).