N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide

C8H8F3N3O — CID 87847861

IUPACN-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
SMILESCCN(C(=O)C(F)(F)F)c1cncnc1
InChIInChI=1S/C8H8F3N3O/c1-2-14(7(15)8(9,10)11)6-3-12-5-13-4-6/h3-5H,2H2,1H3
InChIKeyPMPOXDDURJVGFZ-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.39
Rot. Bonds2

About N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide

N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide (PubChem CID 87847861) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
PubChem CID87847861
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
SMILESCCN(C(=O)C(F)(F)F)c1cncnc1
InChIInChI=1S/C8H8F3N3O/c1-2-14(7(15)8(9,10)11)6-3-12-5-13-4-6/h3-5H,2H2,1H3
InChIKeyPMPOXDDURJVGFZ-UHFFFAOYSA-N
XLogP1.39
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide (CID 87847861) is N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide is CCN(C(=O)C(F)(F)F)c1cncnc1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
The InChIKey is PMPOXDDURJVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-2-14(7(15)8(9,10)11)6-3-12-5-13-4-6/h3-5H,2H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide has a molecular weight of 219.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 87847861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).