2-iodoimidazo[1,2-a]pyrimidine

C6H4IN3 — CID 122431358

IUPAC2-iodoimidazo[1,2-a]pyrimidine
SMILESIc1cn2cccnc2n1
InChIInChI=1S/C6H4IN3/c7-5-4-10-3-1-2-8-6(10)9-5/h1-4H
InChIKeyJDKKFSMGPAFAJV-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.33
Rot. Bonds

About 2-iodoimidazo[1,2-a]pyrimidine

2-iodoimidazo[1,2-a]pyrimidine (PubChem CID 122431358) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 2-iodoimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-iodoimidazo[1,2-a]pyrimidine
PubChem CID122431358
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name2-iodoimidazo[1,2-a]pyrimidine
SMILESIc1cn2cccnc2n1
InChIInChI=1S/C6H4IN3/c7-5-4-10-3-1-2-8-6(10)9-5/h1-4H
InChIKeyJDKKFSMGPAFAJV-UHFFFAOYSA-N
XLogP1.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodoimidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloroimidazo[1,2-a]pyrimidine
CID 14517580
2-pyridin-2-ylimidazo[1,2-a]pyrimidine
CID 70500058
2-tert-butylimidazo[1,2-a]pyrimidine;2,2-dimethylpropane
CID 158552648
pyrimido[1,2-a]pyrimidin-2-one
CID 13114303
imidazo[1,2-a]pyrimidine
CID 577018
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
2-propan-2-yloxyimidazo[1,2-a]pyrimidine
CID 167420118
2-(3,5-difluorophenyl)imidazo[1,2-a]pyrimidine
CID 113303129
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
2-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 10035574
2-(pyridin-1-ium-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 21239043
2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole
CID 70447530

Frequently Asked Questions

What is the IUPAC name of 2-iodoimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-iodoimidazo[1,2-a]pyrimidine (CID 122431358) is 2-iodoimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-iodoimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-iodoimidazo[1,2-a]pyrimidine is Ic1cn2cccnc2n1.
What is the InChIKey of 2-iodoimidazo[1,2-a]pyrimidine?
The InChIKey is JDKKFSMGPAFAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-5-4-10-3-1-2-8-6(10)9-5/h1-4H.
What are the key properties of 2-iodoimidazo[1,2-a]pyrimidine?
2-iodoimidazo[1,2-a]pyrimidine has a molecular weight of 245.02 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122431358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).