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

C12H18F3N5O — CID 80830251

IUPAC4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N5O/c1-3-21-11-18-9(16-2)17-10(19-11)20-6-4-8(5-7-20)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,17,18,19)
InChIKeyPQWZLWZSXFLEPU-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.09
Rot. Bonds4

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

4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80830251) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80830251
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N5O/c1-3-21-11-18-9(16-2)17-10(19-11)20-6-4-8(5-7-20)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,17,18,19)
InChIKeyPQWZLWZSXFLEPU-UHFFFAOYSA-N
XLogP2.09
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.09
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-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 80830251) is 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is PQWZLWZSXFLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-3-21-11-18-9(16-2)17-10(19-11)20-6-4-8(5-7-20)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 305.30 g/mol, XLogP of 2.09, 4 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-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80830251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).