4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one

C11H9IN2O3 — CID 114574355

IUPAC4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccccc2I)nc[nH]c1=O
InChIInChI=1S/C11H9IN2O3/c1-16-9-10(15)13-6-14-11(9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,13,14,15)
InChIKeyKLFJRVYFQWRGIZ-UHFFFAOYSA-N
MW344.11 g/mol
LogP2.18
Rot. Bonds3

About 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114574355) has the molecular formula C11H9IN2O3 and a molecular weight of 344.11 g/mol. Its IUPAC name is 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114574355
Molecular FormulaC11H9IN2O3
Molecular Weight344.11 g/mol
Exact Mass343.97
IUPAC Name4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccccc2I)nc[nH]c1=O
InChIInChI=1S/C11H9IN2O3/c1-16-9-10(15)13-6-14-11(9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,13,14,15)
InChIKeyKLFJRVYFQWRGIZ-UHFFFAOYSA-N
XLogP2.18
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580986
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
1-(2-iodophenoxy)-5-methoxyisoquinoline
CID 106536969
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]-4-methylbenzoic acid
CID 114585672
4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951
4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 107667208
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one (CID 114574355) is 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(Oc2ccccc2I)nc[nH]c1=O.
What is the InChIKey of 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KLFJRVYFQWRGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O3/c1-16-9-10(15)13-6-14-11(9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 344.11 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114574355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).