5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one

C10H6BrIN2O2 — CID 114574339

IUPAC5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc(I)cc2)c1Br
InChIInChI=1S/C10H6BrIN2O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-6(12)2-4-7/h1-5H,(H,13,14,15)
InChIKeyRPWHKJJJQVCMRP-UHFFFAOYSA-N
MW392.98 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one

5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one (PubChem CID 114574339) has the molecular formula C10H6BrIN2O2 and a molecular weight of 392.98 g/mol. Its IUPAC name is 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one
PubChem CID114574339
Molecular FormulaC10H6BrIN2O2
Molecular Weight392.98 g/mol
Exact Mass391.87
IUPAC Name5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc(I)cc2)c1Br
InChIInChI=1S/C10H6BrIN2O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-6(12)2-4-7/h1-5H,(H,13,14,15)
InChIKeyRPWHKJJJQVCMRP-UHFFFAOYSA-N
XLogP2.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.98
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoate
CID 114585754
5-bromo-4-(3-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676310
5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one
CID 106486617
5-bromo-4-(2-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114676052
5-bromo-4-(4-methoxy-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676323
5-bromo-4-(4-chloro-2,6-dimethylphenoxy)-1H-pyrimidin-6-one
CID 114675941
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042
5-bromo-4-(4-iodophenoxy)pyrimidine
CID 66342526
4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)oxy]-3-methoxybenzoic acid
CID 114585615
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one (CID 114574339) is 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2ccc(I)cc2)c1Br.
What is the InChIKey of 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one?
The InChIKey is RPWHKJJJQVCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrIN2O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-6(12)2-4-7/h1-5H,(H,13,14,15).
What are the key properties of 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one?
5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one has a molecular weight of 392.98 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-iodophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114574339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).