3-fluoropyrimidin-4-one

C4H3FN2O — CID 151659790

IUPAC3-fluoropyrimidin-4-one
SMILESO=c1ccncn1F
InChIInChI=1S/C4H3FN2O/c5-7-3-6-2-1-4(7)8/h1-3H
InChIKeyQWHDZNLCVCDJPC-UHFFFAOYSA-N
MW114.08 g/mol
LogP-0.02
Rot. Bonds

About 3-fluoropyrimidin-4-one

3-fluoropyrimidin-4-one (PubChem CID 151659790) has the molecular formula C4H3FN2O and a molecular weight of 114.08 g/mol. Its IUPAC name is 3-fluoropyrimidin-4-one.

Molecular Properties

Compound Name3-fluoropyrimidin-4-one
PubChem CID151659790
Molecular FormulaC4H3FN2O
Molecular Weight114.08 g/mol
Exact Mass114.02
IUPAC Name3-fluoropyrimidin-4-one
SMILESO=c1ccncn1F
InChIInChI=1S/C4H3FN2O/c5-7-3-6-2-1-4(7)8/h1-3H
InChIKeyQWHDZNLCVCDJPC-UHFFFAOYSA-N
XLogP-0.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
1-Methyl-4(1H)-pyrimidinone
CID 292249
1-Ethylpyrimidin-4-one
CID 426506
3-(Trifluoromethyl)pyrimidin-4-one
CID 21621534
1-(Trifluoromethyl)pyrimidin-4-one
CID 142545405
Trifluoro-[(6-oxopyrimidin-1-yl)methyl]boranuide
CID 63794040
3-(2-Fluoroethyl)pyrimidin-4-one
CID 115696928
3-(Difluoromethyl)pyrimidin-4-one
CID 116622761
1,3-Dimethyl-4-oxo-3,4-dihydropyrimidin-1-ium iodide
CID 24195301
3-Oxopyrimidin-3-ium-4-one
CID 53743538
3-methyl-2H-pyrimidin-2-id-4-one;tungsten
CID 58315200
5-Deuterio-1-methylpyrimidin-4-one
CID 59374875

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrimidin-4-one?
The IUPAC name of 3-fluoropyrimidin-4-one (CID 151659790) is 3-fluoropyrimidin-4-one.
What is the SMILES notation for 3-fluoropyrimidin-4-one?
The canonical SMILES for 3-fluoropyrimidin-4-one is O=c1ccncn1F.
What is the InChIKey of 3-fluoropyrimidin-4-one?
The InChIKey is QWHDZNLCVCDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O/c5-7-3-6-2-1-4(7)8/h1-3H.
What are the key properties of 3-fluoropyrimidin-4-one?
3-fluoropyrimidin-4-one has a molecular weight of 114.08 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrimidin-4-one is sourced from PubChem (CID 151659790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).