3-(2-hydroxyethyl)-5-iodopyrimidin-4-one

C6H7IN2O2 — CID 66310767

IUPAC3-(2-hydroxyethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCO
InChIInChI=1S/C6H7IN2O2/c7-5-3-8-4-9(1-2-10)6(5)11/h3-4,10H,1-2H2
InChIKeyWATGZWYLUXJVRT-UHFFFAOYSA-N
MW266.04 g/mol
LogP-0.16
Rot. Bonds2

About 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one

3-(2-hydroxyethyl)-5-iodopyrimidin-4-one (PubChem CID 66310767) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-iodopyrimidin-4-one
PubChem CID66310767
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name3-(2-hydroxyethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCO
InChIInChI=1S/C6H7IN2O2/c7-5-3-8-4-9(1-2-10)6(5)11/h3-4,10H,1-2H2
InChIKeyWATGZWYLUXJVRT-UHFFFAOYSA-N
XLogP-0.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one (CID 66310767) is 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one?
The InChIKey is WATGZWYLUXJVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c7-5-3-8-4-9(1-2-10)6(5)11/h3-4,10H,1-2H2.
What are the key properties of 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one?
3-(2-hydroxyethyl)-5-iodopyrimidin-4-one has a molecular weight of 266.04 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 66310767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).