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

C5H3F2IN2O — CID 136743755

IUPAC4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(C(F)F)c1I
InChIInChI=1S/C5H3F2IN2O/c6-4(7)3-2(8)5(11)10-1-9-3/h1,4H,(H,9,10,11)
InChIKeyLUGOKRAROJTINA-UHFFFAOYSA-N
MW271.99 g/mol
LogP1.31
Rot. Bonds1

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

4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136743755) has the molecular formula C5H3F2IN2O and a molecular weight of 271.99 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136743755
Molecular FormulaC5H3F2IN2O
Molecular Weight271.99 g/mol
Exact Mass271.93
IUPAC Name4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(C(F)F)c1I
InChIInChI=1S/C5H3F2IN2O/c6-4(7)3-2(8)5(11)10-1-9-3/h1,4H,(H,9,10,11)
InChIKeyLUGOKRAROJTINA-UHFFFAOYSA-N
XLogP1.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.99
LogP ≤ 51.31
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

4-Hydroxy-6-(trifluoromethyl)pyrimidine
CID 135458620
5-Iodo-6-methylpyrimidin-4-ol
CID 135467448
4-Pyrimidinol, 5-fluoro-6-(fluoromethyl)-
CID 135473506
6-(1-Fluoroethyl)-5-iodo-4-pyrimidone
CID 135433439
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
5-Chloro-6-(difluoromethyl)pyrimidin-4-OL
CID 135738615
5-Amino-6-(trifluoromethyl)pyrimidin-4-ol
CID 135778510
5-Iodo-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136066338
5-bromo-6-(difluoromethyl)pyrimidin-4(3H)-one
CID 136408025
4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one
CID 136980559
5-bromo-4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one
CID 136980568
5-Fluoro-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 151251297

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one (CID 136743755) is 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LUGOKRAROJTINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2IN2O/c6-4(7)3-2(8)5(11)10-1-9-3/h1,4H,(H,9,10,11).
What are the key properties of 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one?
4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 271.99 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136743755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).