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

C14H21F3N4O — CID 133271312

IUPAC2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCOC1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-4-22-10-5-7-21(8-6-10)13-18-11(14(15,16)17)9-12(19-13)20(2)3/h9-10H,4-8H2,1-3H3
InChIKeyLCBVMXIZUDQWEW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.57
Rot. Bonds4

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

2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133271312) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133271312
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCOC1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-4-22-10-5-7-21(8-6-10)13-18-11(14(15,16)17)9-12(19-13)20(2)3/h9-10H,4-8H2,1-3H3
InChIKeyLCBVMXIZUDQWEW-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133271312) is 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is CCOC1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LCBVMXIZUDQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-4-22-10-5-7-21(8-6-10)13-18-11(14(15,16)17)9-12(19-13)20(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 318.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133271312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).