1-(difluoromethyl)pyrimidin-2-one

C5H4F2N2O — CID 116618343

IUPAC1-(difluoromethyl)pyrimidin-2-one
SMILESO=c1ncccn1C(F)F
InChIInChI=1S/C5H4F2N2O/c6-4(7)9-3-1-2-8-5(9)10/h1-4H
InChIKeyZXYDCZWVZMASKV-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.64
Rot. Bonds1

About 1-(difluoromethyl)pyrimidin-2-one

1-(difluoromethyl)pyrimidin-2-one (PubChem CID 116618343) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)pyrimidin-2-one
PubChem CID116618343
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name1-(difluoromethyl)pyrimidin-2-one
SMILESO=c1ncccn1C(F)F
InChIInChI=1S/C5H4F2N2O/c6-4(7)9-3-1-2-8-5(9)10/h1-4H
InChIKeyZXYDCZWVZMASKV-UHFFFAOYSA-N
XLogP0.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2(1H)-Pyrimidinone, 1-methyl-
CID 138031
N-fluoropyrimidone
CID 88464679
1-Ethenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 178338490
Pyrimidine-3-aldehyde
CID 18917974
Pyrimidine-3-carboxamide
CID 22729960
N-vinyl pyrimidinone
CID 22929248
1-(trifluoromethyl)-2H-pyrimidine
CID 17886935
1-Allyl-5-fluoropyrimid-2-one
CID 20494292
1-(Trifluoromethyl)pyrimidin-2-one
CID 69857732
4-Fluoro-1-methylpyrimidin-2-one
CID 137381030
N-(trifluoromethyl)-2H-pyrimidine-1-carboxamide
CID 140672067
1-(Fluoromethyl)pyrimidin-2-one
CID 142862886

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-(difluoromethyl)pyrimidin-2-one (CID 116618343) is 1-(difluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(difluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-(difluoromethyl)pyrimidin-2-one is O=c1ncccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)pyrimidin-2-one?
The InChIKey is ZXYDCZWVZMASKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-4(7)9-3-1-2-8-5(9)10/h1-4H.
What are the key properties of 1-(difluoromethyl)pyrimidin-2-one?
1-(difluoromethyl)pyrimidin-2-one has a molecular weight of 146.10 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 116618343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).