4-(difluoromethoxy)-1H-pyrimidin-6-one

C5H4F2N2O2 — CID 19988572

IUPAC4-(difluoromethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC(F)F)nc[nH]1
InChIInChI=1S/C5H4F2N2O2/c6-5(7)11-4-1-3(10)8-2-9-4/h1-2,5H,(H,8,9,10)
InChIKeyHFDPRYYBLJVVIM-UHFFFAOYSA-N
MW162.09 g/mol
LogP0.37
Rot. Bonds2

About 4-(difluoromethoxy)-1H-pyrimidin-6-one

4-(difluoromethoxy)-1H-pyrimidin-6-one (PubChem CID 19988572) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.09 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(difluoromethoxy)-1H-pyrimidin-6-one
PubChem CID19988572
Molecular FormulaC5H4F2N2O2
Molecular Weight162.09 g/mol
Exact Mass162.02
IUPAC Name4-(difluoromethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC(F)F)nc[nH]1
InChIInChI=1S/C5H4F2N2O2/c6-5(7)11-4-1-3(10)8-2-9-4/h1-2,5H,(H,8,9,10)
InChIKeyHFDPRYYBLJVVIM-UHFFFAOYSA-N
XLogP0.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(difluoromethoxy)-1H-pyrimidin-6-one (CID 19988572) is 4-(difluoromethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(difluoromethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(difluoromethoxy)-1H-pyrimidin-6-one is O=c1cc(OC(F)F)nc[nH]1.
What is the InChIKey of 4-(difluoromethoxy)-1H-pyrimidin-6-one?
The InChIKey is HFDPRYYBLJVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-5(7)11-4-1-3(10)8-2-9-4/h1-2,5H,(H,8,9,10).
What are the key properties of 4-(difluoromethoxy)-1H-pyrimidin-6-one?
4-(difluoromethoxy)-1H-pyrimidin-6-one has a molecular weight of 162.09 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 19988572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).