4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one

C6H6FIN2O — CID 135433439

IUPAC4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one
SMILESCC(F)c1nc[nH]c(=O)c1I
InChIInChI=1S/C6H6FIN2O/c1-3(7)5-4(8)6(11)10-2-9-5/h2-3H,1H3,(H,9,10,11)
InChIKeyXUVGQFNQUYYNJW-UHFFFAOYSA-N
MW268.03 g/mol
LogP1.40
Rot. Bonds1

About 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one

4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 135433439) has the molecular formula C6H6FIN2O and a molecular weight of 268.03 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID135433439
Molecular FormulaC6H6FIN2O
Molecular Weight268.03 g/mol
Exact Mass267.95
IUPAC Name4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one
SMILESCC(F)c1nc[nH]c(=O)c1I
InChIInChI=1S/C6H6FIN2O/c1-3(7)5-4(8)6(11)10-2-9-5/h2-3H,1H3,(H,9,10,11)
InChIKeyXUVGQFNQUYYNJW-UHFFFAOYSA-N
XLogP1.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-fluoro-4(3H)-pyrimidone
CID 135405387
5-Iodo-6-methylpyrimidin-4-ol
CID 135467448
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
5-Chloro-6-(1-fluoroethyl)-4-pyrimidone
CID 135440522
6-(1-Fluoroethyl)-4(1H)-pyrimidinone
CID 135471807
4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 135627621
6-(1-Fluoro-1-methyl-ethyl)-3H-pyrimidin-4-one
CID 135627622
5-Bromo-6-(1-fluoroethyl)pyrimidin-4(1H)-one
CID 136269922
6-(1-Fluoroethyl)-5-methyl-4-pyrimidone
CID 136364256
4-(1,1-difluoroethyl)-1H-pyrimidin-6-one
CID 136931286
4-(1-fluoro-1-iodoethyl)-1H-pyrimidin-6-one
CID 136980564
5-bromo-4-(1-fluoro-1-iodoethyl)-1H-pyrimidin-6-one
CID 136980565

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one (CID 135433439) is 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one is CC(F)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XUVGQFNQUYYNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2O/c1-3(7)5-4(8)6(11)10-2-9-5/h2-3H,1H3,(H,9,10,11).
What are the key properties of 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one?
4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 268.03 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 135433439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).