2,2-difluoro-2-pyrimidin-5-ylacetamide

C6H5F2N3O — CID 130733657

IUPAC2,2-difluoro-2-pyrimidin-5-ylacetamide
SMILESNC(=O)C(F)(F)c1cncnc1
InChIInChI=1S/C6H5F2N3O/c7-6(8,5(9)12)4-1-10-3-11-2-4/h1-3H,(H2,9,12)
InChIKeyUWYHBHIOKJFYJA-UHFFFAOYSA-N
MW173.12 g/mol
LogP0.05
Rot. Bonds2

About 2,2-difluoro-2-pyrimidin-5-ylacetamide

2,2-difluoro-2-pyrimidin-5-ylacetamide (PubChem CID 130733657) has the molecular formula C6H5F2N3O and a molecular weight of 173.12 g/mol. Its IUPAC name is 2,2-difluoro-2-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2,2-difluoro-2-pyrimidin-5-ylacetamide
PubChem CID130733657
Molecular FormulaC6H5F2N3O
Molecular Weight173.12 g/mol
Exact Mass173.04
IUPAC Name2,2-difluoro-2-pyrimidin-5-ylacetamide
SMILESNC(=O)C(F)(F)c1cncnc1
InChIInChI=1S/C6H5F2N3O/c7-6(8,5(9)12)4-1-10-3-11-2-4/h1-3H,(H2,9,12)
InChIKeyUWYHBHIOKJFYJA-UHFFFAOYSA-N
XLogP0.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-pyrimidin-5-ylacetamide?
The IUPAC name of 2,2-difluoro-2-pyrimidin-5-ylacetamide (CID 130733657) is 2,2-difluoro-2-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2,2-difluoro-2-pyrimidin-5-ylacetamide?
The canonical SMILES for 2,2-difluoro-2-pyrimidin-5-ylacetamide is NC(=O)C(F)(F)c1cncnc1.
What is the InChIKey of 2,2-difluoro-2-pyrimidin-5-ylacetamide?
The InChIKey is UWYHBHIOKJFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O/c7-6(8,5(9)12)4-1-10-3-11-2-4/h1-3H,(H2,9,12).
What are the key properties of 2,2-difluoro-2-pyrimidin-5-ylacetamide?
2,2-difluoro-2-pyrimidin-5-ylacetamide has a molecular weight of 173.12 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-pyrimidin-5-ylacetamide is sourced from PubChem (CID 130733657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).