4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine

C20H26F3N5O — CID 58039355

IUPAC4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCC2CCN(C)CC2)n1
InChIInChI=1S/C20H26F3N5O/c1-3-29-19-26-17(12-15-5-4-6-16(11-15)20(21,22)23)25-18(27-19)24-13-14-7-9-28(2)10-8-14/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,24,25,26,27)
InChIKeyFUKJZAPYYWSQKO-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.63
Rot. Bonds7

About 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine

4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58039355) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58039355
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCC2CCN(C)CC2)n1
InChIInChI=1S/C20H26F3N5O/c1-3-29-19-26-17(12-15-5-4-6-16(11-15)20(21,22)23)25-18(27-19)24-13-14-7-9-28(2)10-8-14/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,24,25,26,27)
InChIKeyFUKJZAPYYWSQKO-UHFFFAOYSA-N
XLogP3.63
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58039355) is 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCC2CCN(C)CC2)n1.
What is the InChIKey of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is FUKJZAPYYWSQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-3-29-19-26-17(12-15-5-4-6-16(11-15)20(21,22)23)25-18(27-19)24-13-14-7-9-28(2)10-8-14/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,24,25,26,27).
What are the key properties of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 409.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).