5-iodopyrimidine

C4H3IN2 — CID 1201421

IUPAC5-iodopyrimidine
SMILESIc1cncnc1
InChIInChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKeyDNWRLMRKDSGSPL-UHFFFAOYSA-N
MW205.99 g/mol
LogP1.08
Rot. Bonds

About 5-iodopyrimidine

5-iodopyrimidine (PubChem CID 1201421) has the molecular formula C4H3IN2 and a molecular weight of 205.99 g/mol. Its IUPAC name is 5-iodopyrimidine.

Molecular Properties

Compound Name5-iodopyrimidine
PubChem CID1201421
Molecular FormulaC4H3IN2
Molecular Weight205.99 g/mol
Exact Mass205.93
IUPAC Name5-iodopyrimidine
SMILESIc1cncnc1
InChIInChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKeyDNWRLMRKDSGSPL-UHFFFAOYSA-N
XLogP1.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodopyrimidine 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-iodopyrimidine?
The IUPAC name of 5-iodopyrimidine (CID 1201421) is 5-iodopyrimidine.
What is the SMILES notation for 5-iodopyrimidine?
The canonical SMILES for 5-iodopyrimidine is Ic1cncnc1.
What is the InChIKey of 5-iodopyrimidine?
The InChIKey is DNWRLMRKDSGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H.
What are the key properties of 5-iodopyrimidine?
5-iodopyrimidine has a molecular weight of 205.99 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopyrimidine is sourced from PubChem (CID 1201421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).