6-(difluoromethyl)-1H-pyrimidin-2-one

C5H4F2N2O — CID 84716331

IUPAC6-(difluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(C(F)F)[nH]1
InChIInChI=1S/C5H4F2N2O/c6-4(7)3-1-2-8-5(10)9-3/h1-2,4H,(H,8,9,10)
InChIKeyOFRAPWNZYMPKPZ-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.71
Rot. Bonds1

About 6-(difluoromethyl)-1H-pyrimidin-2-one

6-(difluoromethyl)-1H-pyrimidin-2-one (PubChem CID 84716331) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-1H-pyrimidin-2-one
PubChem CID84716331
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name6-(difluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(C(F)F)[nH]1
InChIInChI=1S/C5H4F2N2O/c6-4(7)3-1-2-8-5(10)9-3/h1-2,4H,(H,8,9,10)
InChIKeyOFRAPWNZYMPKPZ-UHFFFAOYSA-N
XLogP0.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(difluoromethyl)-1H-pyrimidin-2-one (CID 84716331) is 6-(difluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(difluoromethyl)-1H-pyrimidin-2-one is O=c1nccc(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is OFRAPWNZYMPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-4(7)3-1-2-8-5(10)9-3/h1-2,4H,(H,8,9,10).
What are the key properties of 6-(difluoromethyl)-1H-pyrimidin-2-one?
6-(difluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 146.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 84716331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).