5,6-difluoro-1H-pyrimidin-2-one

C4H2F2N2O — CID 18970290

IUPAC5,6-difluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(F)[nH]1
InChIInChI=1S/C4H2F2N2O/c5-2-1-7-4(9)8-3(2)6/h1H,(H,7,8,9)
InChIKeyNZZRTKAJPDOKFO-UHFFFAOYSA-N
MW132.07 g/mol
LogP0.05
Rot. Bonds

About 5,6-difluoro-1H-pyrimidin-2-one

5,6-difluoro-1H-pyrimidin-2-one (PubChem CID 18970290) has the molecular formula C4H2F2N2O and a molecular weight of 132.07 g/mol. Its IUPAC name is 5,6-difluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5,6-difluoro-1H-pyrimidin-2-one
PubChem CID18970290
Molecular FormulaC4H2F2N2O
Molecular Weight132.07 g/mol
Exact Mass132.01
IUPAC Name5,6-difluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(F)[nH]1
InChIInChI=1S/C4H2F2N2O/c5-2-1-7-4(9)8-3(2)6/h1H,(H,7,8,9)
InChIKeyNZZRTKAJPDOKFO-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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Related Compounds

Flucytosine
CID 3366
5-(Trifluoromethyl)-cytosine
CID 21919030
4-Fluoro-2-hydroxypyrimidine
CID 22172506
4-Fluoro-5-methyl-2-pyrimidinone
CID 45080052
5-Fluoro-cytosine monohydrate
CID 129660715
6-Chloro-5-fluoropyrimidin-2(1H)-one
CID 13061624
6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one
CID 13166058
6-Amino-5-(fluoromethyl)pyrimidin-2(1H)-one
CID 22172510
6-azido-5-fluoro-1H-pyrimidin-2-one
CID 22316397
6-Amino-5-(difluoromethyl)pyrimidin-2(1H)-one
CID 23158405
5-chloro-6-fluoro-1H-pyrimidin-2-one
CID 131072979
5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one
CID 163778239

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1H-pyrimidin-2-one?
The IUPAC name of 5,6-difluoro-1H-pyrimidin-2-one (CID 18970290) is 5,6-difluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 5,6-difluoro-1H-pyrimidin-2-one?
The canonical SMILES for 5,6-difluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(F)[nH]1.
What is the InChIKey of 5,6-difluoro-1H-pyrimidin-2-one?
The InChIKey is NZZRTKAJPDOKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O/c5-2-1-7-4(9)8-3(2)6/h1H,(H,7,8,9).
What are the key properties of 5,6-difluoro-1H-pyrimidin-2-one?
5,6-difluoro-1H-pyrimidin-2-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 5,6-difluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 18970290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).