2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one

C11H8FIN2O — CID 66317205

IUPAC2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one
SMILESCc1ccc(F)cc1-c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C11H8FIN2O/c1-6-2-3-7(12)4-8(6)10-14-5-9(13)11(16)15-10/h2-5H,1H3,(H,14,15,16)
InChIKeyOVTIWBRMFUWMBQ-UHFFFAOYSA-N
MW330.10 g/mol
LogP2.49
Rot. Bonds1

About 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one

2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 66317205) has the molecular formula C11H8FIN2O and a molecular weight of 330.10 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID66317205
Molecular FormulaC11H8FIN2O
Molecular Weight330.10 g/mol
Exact Mass329.97
IUPAC Name2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one
SMILESCc1ccc(F)cc1-c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C11H8FIN2O/c1-6-2-3-7(12)4-8(6)10-14-5-9(13)11(16)15-10/h2-5H,1H3,(H,14,15,16)
InChIKeyOVTIWBRMFUWMBQ-UHFFFAOYSA-N
XLogP2.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 52.49
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

2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62388939
2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317416
1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108953
2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one
CID 66314716
2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 107923917
2-(5-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 55144799
2-[(3,5-difluorophenyl)methyl]-5-iodo-1H-pyrimidin-6-one
CID 66314507
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
CID 168552454
2-(2,5-dimethylphenyl)-5-methyl-1H-imidazole
CID 151776982
5-iodo-2-quinoxalin-6-yl-1H-pyrimidin-6-one
CID 66316374
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one (CID 66317205) is 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one is Cc1ccc(F)cc1-c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OVTIWBRMFUWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O/c1-6-2-3-7(12)4-8(6)10-14-5-9(13)11(16)15-10/h2-5H,1H3,(H,14,15,16).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one?
2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 330.10 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66317205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).