4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C8H11F3N4O2 — CID 80859177

IUPAC4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-3-16-6-13-5(12-2)14-7(15-6)17-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyPZRWJDPGDMNEOO-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.25
Rot. Bonds5

About 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80859177) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80859177
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-3-16-6-13-5(12-2)14-7(15-6)17-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyPZRWJDPGDMNEOO-UHFFFAOYSA-N
XLogP1.25
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80859177) is 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is PZRWJDPGDMNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-3-16-6-13-5(12-2)14-7(15-6)17-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 252.20 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).