2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one

C7H9IN2O2 — CID 66316585

IUPAC2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
SMILESCCOCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-2-12-4-6-9-3-5(8)7(11)10-6/h3H,2,4H2,1H3,(H,9,10,11)
InChIKeyCBCUWKKNYRSJKH-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.91
Rot. Bonds3

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

2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 66316585) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID66316585
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
SMILESCCOCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-2-12-4-6-9-3-5(8)7(11)10-6/h3H,2,4H2,1H3,(H,9,10,11)
InChIKeyCBCUWKKNYRSJKH-UHFFFAOYSA-N
XLogP0.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethoxymethyl)-5-iodo-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

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one (CID 66316585) is 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one is CCOCc1ncc(I)c(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CBCUWKKNYRSJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-2-12-4-6-9-3-5(8)7(11)10-6/h3H,2,4H2,1H3,(H,9,10,11).
What are the key properties of 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one?
2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 280.06 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66316585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).