4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one

C5H4FIN2O — CID 136980559

IUPAC4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)I)nc[nH]1
InChIInChI=1S/C5H4FIN2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10)
InChIKeyUZAJDARPKKDZFG-UHFFFAOYSA-N
MW254.00 g/mol
LogP1.17
Rot. Bonds1

About 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one

4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one (PubChem CID 136980559) has the molecular formula C5H4FIN2O and a molecular weight of 254.00 g/mol. Its IUPAC name is 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one
PubChem CID136980559
Molecular FormulaC5H4FIN2O
Molecular Weight254.00 g/mol
Exact Mass253.94
IUPAC Name4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)I)nc[nH]1
InChIInChI=1S/C5H4FIN2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10)
InChIKeyUZAJDARPKKDZFG-UHFFFAOYSA-N
XLogP1.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.00
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-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

4(3H)-Pyrimidinone, 6-methyl-
CID 135431249
4-Hydroxy-6-(trifluoromethyl)pyrimidine
CID 135458620
5-Iodo-6-methylpyrimidin-4-ol
CID 135467448
6-(Difluoromethyl)pyrimidin-4(1H)-one
CID 135708784
6-Methyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 137935517
6-(1-Fluoroethyl)-4(1H)-pyrimidinone
CID 135471807
6-(Aminomethyl)pyrimidin-4-ol
CID 135743646
4-(1-fluoro-1-iodoethyl)-1H-pyrimidin-6-one
CID 136980564
4-Pyrimidinol, 6-(fluoromethyl)-
CID 136217254
6-(Difluoromethyl)-5-iodopyrimidin-4(3H)-one
CID 136743755
4-[(1R)-1-fluoroethyl]-1H-pyrimidin-6-one
CID 136869703
4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one
CID 136869704

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one (CID 136980559) is 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one is O=c1cc(C(F)I)nc[nH]1.
What is the InChIKey of 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one?
The InChIKey is UZAJDARPKKDZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FIN2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10).
What are the key properties of 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one?
4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one has a molecular weight of 254.00 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136980559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).