5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

C11H15IN2O2 — CID 66339819

IUPAC5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCC1CCCO1
InChIInChI=1S/C11H15IN2O2/c1-8-13-7-10(12)11(15)14(8)5-4-9-3-2-6-16-9/h7,9H,2-6H2,1H3
InChIKeySTABEEIQBXCFJU-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.73
Rot. Bonds3

About 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (PubChem CID 66339819) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
PubChem CID66339819
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCC1CCCO1
InChIInChI=1S/C11H15IN2O2/c1-8-13-7-10(12)11(15)14(8)5-4-9-3-2-6-16-9/h7,9H,2-6H2,1H3
InChIKeySTABEEIQBXCFJU-UHFFFAOYSA-N
XLogP1.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-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 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (CID 66339819) is 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCC1CCCO1.
What is the InChIKey of 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is STABEEIQBXCFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-8-13-7-10(12)11(15)14(8)5-4-9-3-2-6-16-9/h7,9H,2-6H2,1H3.
What are the key properties of 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 334.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66339819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).