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

C5H3F3N2O2 — CID 66936029

IUPAC2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)F)nc(O)c1F
InChIInChI=1S/C5H3F3N2O2/c6-1-4(11)9-3(2(7)8)10-5(1)12/h2H,(H2,9,10,11,12)
InChIKeyQKZOHYHKVRJSRI-UHFFFAOYSA-N
MW180.08 g/mol
LogP0.55
Rot. Bonds1

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

2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66936029) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66936029
Molecular FormulaC5H3F3N2O2
Molecular Weight180.08 g/mol
Exact Mass180.01
IUPAC Name2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)F)nc(O)c1F
InChIInChI=1S/C5H3F3N2O2/c6-1-4(11)9-3(2(7)8)10-5(1)12/h2H,(H2,9,10,11,12)
InChIKeyQKZOHYHKVRJSRI-UHFFFAOYSA-N
XLogP0.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 66936029) is 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C(F)F)nc(O)c1F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QKZOHYHKVRJSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-1-4(11)9-3(2(7)8)10-5(1)12/h2H,(H2,9,10,11,12).
What are the key properties of 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 180.08 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66936029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).