6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C9H14F3N5O2 — CID 80845502

IUPAC6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCOCC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H14F3N5O2/c1-13-6-15-7(17-8(16-6)18-2)14-3-4-19-5-9(10,11)12/h3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJJZHNVUTLPFAKE-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.91
Rot. Bonds7

About 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80845502) has the molecular formula C9H14F3N5O2 and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80845502
Molecular FormulaC9H14F3N5O2
Molecular Weight281.24 g/mol
Exact Mass281.11
IUPAC Name6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCOCC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H14F3N5O2/c1-13-6-15-7(17-8(16-6)18-2)14-3-4-19-5-9(10,11)12/h3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJJZHNVUTLPFAKE-UHFFFAOYSA-N
XLogP0.91
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine 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 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80845502) is 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is CNc1nc(NCCOCC(F)(F)F)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JJZHNVUTLPFAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2/c1-13-6-15-7(17-8(16-6)18-2)14-3-4-19-5-9(10,11)12/h3-5H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.24 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80845502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).