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

C5H4F2N2O2 — CID 178112010

IUPAC5-(difluoromethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1OC(F)F
InChIInChI=1S/C5H4F2N2O2/c6-5(7)11-3-1-8-2-9-4(3)10/h1-2,5H,(H,8,9,10)
InChIKeyMJKFVKCFRGVNRO-UHFFFAOYSA-N
MW162.10 g/mol
LogP0.37
Rot. Bonds2

About 5-(difluoromethoxy)-1H-pyrimidin-6-one

5-(difluoromethoxy)-1H-pyrimidin-6-one (PubChem CID 178112010) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.10 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-1H-pyrimidin-6-one
PubChem CID178112010
Molecular FormulaC5H4F2N2O2
Molecular Weight162.10 g/mol
Exact Mass162.02
IUPAC Name5-(difluoromethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1OC(F)F
InChIInChI=1S/C5H4F2N2O2/c6-5(7)11-3-1-8-2-9-4(3)10/h1-2,5H,(H,8,9,10)
InChIKeyMJKFVKCFRGVNRO-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 ≤ 500162.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-(difluoromethoxy)-1H-pyrimidin-6-one (CID 178112010) is 5-(difluoromethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(difluoromethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(difluoromethoxy)-1H-pyrimidin-6-one is O=c1[nH]cncc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1H-pyrimidin-6-one?
The InChIKey is MJKFVKCFRGVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-5(7)11-3-1-8-2-9-4(3)10/h1-2,5H,(H,8,9,10).
What are the key properties of 5-(difluoromethoxy)-1H-pyrimidin-6-one?
5-(difluoromethoxy)-1H-pyrimidin-6-one has a molecular weight of 162.10 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 5-(difluoromethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 178112010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).