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

C8H9IN2O2 — CID 66286785

IUPAC4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H9IN2O2/c1-3-2-4(3)6-10-7(12)5(9)8(13)11-6/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyOUSMXVSQEIEDCE-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.20
Rot. Bonds1

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

4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 66286785) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID66286785
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H9IN2O2/c1-3-2-4(3)6-10-7(12)5(9)8(13)11-6/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyOUSMXVSQEIEDCE-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-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-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (CID 66286785) is 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is CC1CC1c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is OUSMXVSQEIEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c1-3-2-4(3)6-10-7(12)5(9)8(13)11-6/h3-4H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 292.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66286785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).