3-(ethoxymethyl)-5-iodopyrimidin-4-one

C7H9IN2O2 — CID 66310992

IUPAC3-(ethoxymethyl)-5-iodopyrimidin-4-one
SMILESCCOCn1cncc(I)c1=O
InChIInChI=1S/C7H9IN2O2/c1-2-12-5-10-4-9-3-6(8)7(10)11/h3-4H,2,5H2,1H3
InChIKeyMDBVPUCDWPPPIK-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.84
Rot. Bonds3

About 3-(ethoxymethyl)-5-iodopyrimidin-4-one

3-(ethoxymethyl)-5-iodopyrimidin-4-one (PubChem CID 66310992) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-iodopyrimidin-4-one
PubChem CID66310992
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name3-(ethoxymethyl)-5-iodopyrimidin-4-one
SMILESCCOCn1cncc(I)c1=O
InChIInChI=1S/C7H9IN2O2/c1-2-12-5-10-4-9-3-6(8)7(10)11/h3-4H,2,5H2,1H3
InChIKeyMDBVPUCDWPPPIK-UHFFFAOYSA-N
XLogP0.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(ethoxymethyl)-5-iodopyrimidin-4-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 3-(ethoxymethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(ethoxymethyl)-5-iodopyrimidin-4-one (CID 66310992) is 3-(ethoxymethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(ethoxymethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(ethoxymethyl)-5-iodopyrimidin-4-one is CCOCn1cncc(I)c1=O.
What is the InChIKey of 3-(ethoxymethyl)-5-iodopyrimidin-4-one?
The InChIKey is MDBVPUCDWPPPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-2-12-5-10-4-9-3-6(8)7(10)11/h3-4H,2,5H2,1H3.
What are the key properties of 3-(ethoxymethyl)-5-iodopyrimidin-4-one?
3-(ethoxymethyl)-5-iodopyrimidin-4-one has a molecular weight of 280.06 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 66310992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).