4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one

C11H8FIN2O2 — CID 107170155

IUPAC4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2I)cc1F
InChIInChI=1S/C11H8FIN2O2/c1-6-2-3-7(4-8(6)12)17-11-9(13)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyYDAUQBHTMRYLTR-UHFFFAOYSA-N
MW346.10 g/mol
LogP2.61
Rot. Bonds2

About 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one

4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 107170155) has the molecular formula C11H8FIN2O2 and a molecular weight of 346.10 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID107170155
Molecular FormulaC11H8FIN2O2
Molecular Weight346.10 g/mol
Exact Mass345.96
IUPAC Name4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2I)cc1F
InChIInChI=1S/C11H8FIN2O2/c1-6-2-3-7(4-8(6)12)17-11-9(13)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyYDAUQBHTMRYLTR-UHFFFAOYSA-N
XLogP2.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one (CID 107170155) is 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one is Cc1ccc(Oc2nc[nH]c(=O)c2I)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YDAUQBHTMRYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O2/c1-6-2-3-7(4-8(6)12)17-11-9(13)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one?
4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 346.10 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 107170155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).