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

C6H4F3N3O — CID 18452870

IUPAC2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
SMILESO=C(Nc1cncnc1)C(F)(F)F
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)5(13)12-4-1-10-3-11-2-4/h1-3H,(H,12,13)
InChIKeyXLJGMQFAZBKXKS-UHFFFAOYSA-N
MW191.11 g/mol
LogP0.98
Rot. Bonds1

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

2,2,2-trifluoro-N-pyrimidin-5-ylacetamide (PubChem CID 18452870) has the molecular formula C6H4F3N3O and a molecular weight of 191.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
PubChem CID18452870
Molecular FormulaC6H4F3N3O
Molecular Weight191.11 g/mol
Exact Mass191.03
IUPAC Name2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
SMILESO=C(Nc1cncnc1)C(F)(F)F
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)5(13)12-4-1-10-3-11-2-4/h1-3H,(H,12,13)
InChIKeyXLJGMQFAZBKXKS-UHFFFAOYSA-N
XLogP0.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide (CID 18452870) is 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide is O=C(Nc1cncnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
The InChIKey is XLJGMQFAZBKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O/c7-6(8,9)5(13)12-4-1-10-3-11-2-4/h1-3H,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide?
2,2,2-trifluoro-N-pyrimidin-5-ylacetamide has a molecular weight of 191.11 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 18452870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).