4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C9H13F3N4O3 — CID 63827548

IUPAC4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCOCC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H13F3N4O3/c1-17-7-14-6(15-8(16-7)18-2)13-3-4-19-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyMHSQUOANYJXBOL-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.88
Rot. Bonds7

About 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 63827548) has the molecular formula C9H13F3N4O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID63827548
Molecular FormulaC9H13F3N4O3
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC Name4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCOCC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H13F3N4O3/c1-17-7-14-6(15-8(16-7)18-2)13-3-4-19-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyMHSQUOANYJXBOL-UHFFFAOYSA-N
XLogP0.88
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 63827548) is 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is COc1nc(NCCOCC(F)(F)F)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is MHSQUOANYJXBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3/c1-17-7-14-6(15-8(16-7)18-2)13-3-4-19-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 282.22 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63827548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).