2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C8H11IN2O3 — CID 66286779

IUPAC2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H11IN2O3/c1-3-14-4(2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyNMYSYYIYFGVBMS-UHFFFAOYSA-N
MW310.09 g/mol
LogP1.18
Rot. Bonds3

About 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66286779) has the molecular formula C8H11IN2O3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66286779
Molecular FormulaC8H11IN2O3
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H11IN2O3/c1-3-14-4(2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyNMYSYYIYFGVBMS-UHFFFAOYSA-N
XLogP1.18
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxyethyl)-4-hydroxy-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-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66286779) is 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOC(C)c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is NMYSYYIYFGVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O3/c1-3-14-4(2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 310.09 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66286779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).