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

C8H11IN2O3 — CID 66286572

IUPAC4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H11IN2O3/c1-2-3-14-4-5-10-7(12)6(9)8(13)11-5/h2-4H2,1H3,(H2,10,11,12,13)
InChIKeyCABSPDSANYLJHF-UHFFFAOYSA-N
MW310.09 g/mol
LogP1.01
Rot. Bonds4

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

4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 66286572) has the molecular formula C8H11IN2O3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID66286572
Molecular FormulaC8H11IN2O3
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H11IN2O3/c1-2-3-14-4-5-10-7(12)6(9)8(13)11-5/h2-4H2,1H3,(H2,10,11,12,13)
InChIKeyCABSPDSANYLJHF-UHFFFAOYSA-N
XLogP1.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-iodo-2-(propoxymethyl)-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 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 66286572) is 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is CABSPDSANYLJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O3/c1-2-3-14-4-5-10-7(12)6(9)8(13)11-5/h2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 310.09 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66286572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).