6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N4O — CID 106774326

IUPAC6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCCN2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-17-9(16)8-10(18-11)20-7-6-19-4-2-1-3-5-19/h8H,1-7H2,(H2,16,17,18)
InChIKeyVDEBCTROVIAIAT-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.94
Rot. Bonds4

About 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774326) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774326
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCCN2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-17-9(16)8-10(18-11)20-7-6-19-4-2-1-3-5-19/h8H,1-7H2,(H2,16,17,18)
InChIKeyVDEBCTROVIAIAT-UHFFFAOYSA-N
XLogP1.94
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine 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-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774326) is 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(OCCN2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VDEBCTROVIAIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)11-17-9(16)8-10(18-11)20-7-6-19-4-2-1-3-5-19/h8H,1-7H2,(H2,16,17,18).
What are the key properties of 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 290.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).