5-iodo-1,3-dimethylpyrimidine-2,4-dione

C6H7IN2O2 — CID 622250

IUPAC5-iodo-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(C)c1=O
InChIInChI=1S/C6H7IN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
InChIKeyXUUVRIXNFFFPCM-UHFFFAOYSA-N
MW266.04 g/mol
LogP-0.31
Rot. Bonds

About 5-iodo-1,3-dimethylpyrimidine-2,4-dione

5-iodo-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 622250) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 5-iodo-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1,3-dimethylpyrimidine-2,4-dione
PubChem CID622250
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name5-iodo-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(C)c1=O
InChIInChI=1S/C6H7IN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
InChIKeyXUUVRIXNFFFPCM-UHFFFAOYSA-N
XLogP-0.31
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-1,3-dimethylpyrimidine-2,4-dione 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-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1,3-dimethylpyrimidine-2,4-dione (CID 622250) is 5-iodo-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(I)c(=O)n(C)c1=O.
What is the InChIKey of 5-iodo-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XUUVRIXNFFFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3.
What are the key properties of 5-iodo-1,3-dimethylpyrimidine-2,4-dione?
5-iodo-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 266.04 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 622250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).