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

C7H9IN2O2 — CID 66315339

IUPAC5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-12-3-2-6-9-4-5(8)7(11)10-6/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyOKHOIDQNSQWPIE-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.56
Rot. Bonds3

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

5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 66315339) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID66315339
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-12-3-2-6-9-4-5(8)7(11)10-6/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyOKHOIDQNSQWPIE-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(2-methoxyethyl)-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 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one (CID 66315339) is 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one is COCCc1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is OKHOIDQNSQWPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-12-3-2-6-9-4-5(8)7(11)10-6/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 280.06 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66315339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).