2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

C10H7FIN3O2 — CID 796424

IUPAC2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(Oc2ccc(F)cc2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H7FIN3O2/c11-5-1-3-6(4-2-5)17-9-7(12)8(16)14-10(13)15-9/h1-4H,(H3,13,14,15,16)
InChIKeyJSWKGPSKCZXTNW-UHFFFAOYSA-N
MW347.09 g/mol
LogP1.89
Rot. Bonds2

About 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 796424) has the molecular formula C10H7FIN3O2 and a molecular weight of 347.09 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID796424
Molecular FormulaC10H7FIN3O2
Molecular Weight347.09 g/mol
Exact Mass346.96
IUPAC Name2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(Oc2ccc(F)cc2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H7FIN3O2/c11-5-1-3-6(4-2-5)17-9-7(12)8(16)14-10(13)15-9/h1-4H,(H3,13,14,15,16)
InChIKeyJSWKGPSKCZXTNW-UHFFFAOYSA-N
XLogP1.89
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one (CID 796424) is 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one is Nc1nc(Oc2ccc(F)cc2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JSWKGPSKCZXTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FIN3O2/c11-5-1-3-6(4-2-5)17-9-7(12)8(16)14-10(13)15-9/h1-4H,(H3,13,14,15,16).
What are the key properties of 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 347.09 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 796424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).