5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one

C5H4F2N2O2 — CID 66936193

IUPAC5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CF)nc(O)c1F
InChIInChI=1S/C5H4F2N2O2/c6-1-2-8-4(10)3(7)5(11)9-2/h1H2,(H2,8,9,10,11)
InChIKeyRARSLCPJHKXSLZ-UHFFFAOYSA-N
MW162.09 g/mol
LogP0.08
Rot. Bonds1

About 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one

5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66936193) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.09 g/mol. Its IUPAC name is 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66936193
Molecular FormulaC5H4F2N2O2
Molecular Weight162.09 g/mol
Exact Mass162.02
IUPAC Name5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CF)nc(O)c1F
InChIInChI=1S/C5H4F2N2O2/c6-1-2-8-4(10)3(7)5(11)9-2/h1H2,(H2,8,9,10,11)
InChIKeyRARSLCPJHKXSLZ-UHFFFAOYSA-N
XLogP0.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-(Trifluoromethyl)pyrimidine-4,6-diol
CID 243103
5-Methyl-2-trifluoromethylpyrimidine-4,6-diol
CID 33698020
5-Fluoro-2-methylpyrimidine-4,6-diol
CID 233895
2-Cyclopropyl-5-fluoropyrimidine-4,6-diol
CID 10214419
4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
2-(Fluoromethyl)pyrimidine-4,6-diol
CID 59343540
2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 59343587
2-(2,2,2-Trifluoroethyl)pyrimidine-4,6-diol
CID 63613426
2-difluoromethyl-5-fluoro-6-hydroxy-4(1H)-pyrimidinone
CID 66936029
5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 70423880
4(3H)-Pyrimidinone, 2-(difluoromethyl)-6-hydroxy-5-methyl
CID 89394954

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 66936193) is 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(CF)nc(O)c1F.
What is the InChIKey of 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RARSLCPJHKXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-1-2-8-4(10)3(7)5(11)9-2/h1H2,(H2,8,9,10,11).
What are the key properties of 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 162.09 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66936193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).