2,4-difluoro-1H-pyrimidin-6-one

C4H2F2N2O — CID 135409861

IUPAC2,4-difluoro-1H-pyrimidin-6-one
SMILESO=c1cc(F)nc(F)[nH]1
InChIInChI=1S/C4H2F2N2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChIKeyJXFUEUBDKFTDOY-UHFFFAOYSA-N
MW132.07 g/mol
LogP0.05
Rot. Bonds

About 2,4-difluoro-1H-pyrimidin-6-one

2,4-difluoro-1H-pyrimidin-6-one (PubChem CID 135409861) has the molecular formula C4H2F2N2O and a molecular weight of 132.07 g/mol. Its IUPAC name is 2,4-difluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-difluoro-1H-pyrimidin-6-one
PubChem CID135409861
Molecular FormulaC4H2F2N2O
Molecular Weight132.07 g/mol
Exact Mass132.01
IUPAC Name2,4-difluoro-1H-pyrimidin-6-one
SMILESO=c1cc(F)nc(F)[nH]1
InChIInChI=1S/C4H2F2N2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChIKeyJXFUEUBDKFTDOY-UHFFFAOYSA-N
XLogP0.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1H-pyrimidin-6-one?
The IUPAC name of 2,4-difluoro-1H-pyrimidin-6-one (CID 135409861) is 2,4-difluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-difluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-difluoro-1H-pyrimidin-6-one is O=c1cc(F)nc(F)[nH]1.
What is the InChIKey of 2,4-difluoro-1H-pyrimidin-6-one?
The InChIKey is JXFUEUBDKFTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9).
What are the key properties of 2,4-difluoro-1H-pyrimidin-6-one?
2,4-difluoro-1H-pyrimidin-6-one has a molecular weight of 132.07 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 135409861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).