4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4O — CID 114564277

IUPAC4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOC1CCN(c2cc(C(F)(F)F)nc(N)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-20-8-3-5-19(6-4-8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,2-6H2,1H3,(H2,16,17,18)
InChIKeyFQPOVNPYIAXEKG-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.08
Rot. Bonds3

About 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114564277) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114564277
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOC1CCN(c2cc(C(F)(F)F)nc(N)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-20-8-3-5-19(6-4-8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,2-6H2,1H3,(H2,16,17,18)
InChIKeyFQPOVNPYIAXEKG-UHFFFAOYSA-N
XLogP2.08
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114564277) is 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCOC1CCN(c2cc(C(F)(F)F)nc(N)n2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FQPOVNPYIAXEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-20-8-3-5-19(6-4-8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114564277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).