6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride

C18H25Cl2F3N6O — CID 67016013

IUPAC6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(NC2CCN(C)CC2)n1.Cl.Cl
InChIInChI=1S/C18H23F3N6O.2ClH/c1-3-28-17-25-15(22-13-7-9-27(2)10-8-13)24-16(26-17)23-14-6-4-5-12(11-14)18(19,20)21;;/h4-6,11,13H,3,7-10H2,1-2H3,(H2,22,23,24,25,26);2*1H
InChIKeyINQOLKCWPLZHPL-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.38
Rot. Bonds6

About 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride

6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride (PubChem CID 67016013) has the molecular formula C18H25Cl2F3N6O and a molecular weight of 469.34 g/mol. Its IUPAC name is 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride
PubChem CID67016013
Molecular FormulaC18H25Cl2F3N6O
Molecular Weight469.34 g/mol
Exact Mass468.14
IUPAC Name6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(NC2CCN(C)CC2)n1.Cl.Cl
InChIInChI=1S/C18H23F3N6O.2ClH/c1-3-28-17-25-15(22-13-7-9-27(2)10-8-13)24-16(26-17)23-14-6-4-5-12(11-14)18(19,20)21;;/h4-6,11,13H,3,7-10H2,1-2H3,(H2,22,23,24,25,26);2*1H
InChIKeyINQOLKCWPLZHPL-UHFFFAOYSA-N
XLogP4.38
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride (CID 67016013) is 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride is CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(NC2CCN(C)CC2)n1.Cl.Cl.
What is the InChIKey of 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride?
The InChIKey is INQOLKCWPLZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O.2ClH/c1-3-28-17-25-15(22-13-7-9-27(2)10-8-13)24-16(26-17)23-14-6-4-5-12(11-14)18(19,20)21;;/h4-6,11,13H,3,7-10H2,1-2H3,(H2,22,23,24,25,26);2*1H.
What are the key properties of 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride?
6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride has a molecular weight of 469.34 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 67016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).