3-(difluoromethyl)pyrimidin-4-one

C5H4F2N2O — CID 116622761

IUPAC3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1ccncn1C(F)F
InChIInChI=1S/C5H4F2N2O/c6-5(7)9-3-8-2-1-4(9)10/h1-3,5H
InChIKeyXDPSWAXXLJTSDF-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.64
Rot. Bonds1

About 3-(difluoromethyl)pyrimidin-4-one

3-(difluoromethyl)pyrimidin-4-one (PubChem CID 116622761) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)pyrimidin-4-one
PubChem CID116622761
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1ccncn1C(F)F
InChIInChI=1S/C5H4F2N2O/c6-5(7)9-3-8-2-1-4(9)10/h1-3,5H
InChIKeyXDPSWAXXLJTSDF-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

Analyze 3-(difluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
1-Methyl-4(1H)-pyrimidinone
CID 292249
5-Fluoro-3-methylpyrimidin-4(3H)-one
CID 21602096
1-Ethylpyrimidin-4-one
CID 426506
6-Fluoro-3-methyl-4-pyrimidinone
CID 129719242
3-(1,1,2,2,2-Pentafluoroethyl)pyrimidin-4-one
CID 21570736
3-(Trifluoromethyl)pyrimidin-4-one
CID 21621534
1-(Trifluoromethyl)pyrimidin-4-one
CID 142545405
3-Fluoropyrimidin-4-one
CID 151659790
1-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
CID 156409789
3-Ethenyl-2-(fluoromethyl)pyrimidin-4-one
CID 159542129
3-Ethenyl-2-(trifluoromethyl)pyrimidin-4-one
CID 159918283

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)pyrimidin-4-one (CID 116622761) is 3-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)pyrimidin-4-one is O=c1ccncn1C(F)F.
What is the InChIKey of 3-(difluoromethyl)pyrimidin-4-one?
The InChIKey is XDPSWAXXLJTSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-5(7)9-3-8-2-1-4(9)10/h1-3,5H.
What are the key properties of 3-(difluoromethyl)pyrimidin-4-one?
3-(difluoromethyl)pyrimidin-4-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 3-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 116622761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).