6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C17H16F3N5O2 — CID 58039753

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O2/c1-2-26-16-24-14(21-10-13-4-3-9-27-13)23-15(25-16)22-12-7-5-11(6-8-12)17(18,19)20/h3-9H,2,10H2,1H3,(H2,21,22,23,24,25)
InChIKeyLKJZOUMZVZXZHN-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.24
Rot. Bonds7

About 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 58039753) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID58039753
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O2/c1-2-26-16-24-14(21-10-13-4-3-9-27-13)23-15(25-16)22-12-7-5-11(6-8-12)17(18,19)20/h3-9H,2,10H2,1H3,(H2,21,22,23,24,25)
InChIKeyLKJZOUMZVZXZHN-UHFFFAOYSA-N
XLogP4.24
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-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-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 58039753) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LKJZOUMZVZXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-2-26-16-24-14(21-10-13-4-3-9-27-13)23-15(25-16)22-12-7-5-11(6-8-12)17(18,19)20/h3-9H,2,10H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 379.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58039753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).