4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one

C9H13IN2O2 — CID 66286976

IUPAC4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O2/c1-5(2)3-4-6-11-8(13)7(10)9(14)12-6/h5H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyABHFUMWECAMIAI-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.67
Rot. Bonds3

About 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 66286976) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID66286976
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O2/c1-5(2)3-4-6-11-8(13)7(10)9(14)12-6/h5H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyABHFUMWECAMIAI-UHFFFAOYSA-N
XLogP1.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.67
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-(3-methylbutyl)-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-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one (CID 66286976) is 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one is CC(C)CCc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is ABHFUMWECAMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c1-5(2)3-4-6-11-8(13)7(10)9(14)12-6/h5H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 308.12 g/mol, XLogP of 1.67, 3 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-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66286976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).