4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine

C9H8ClIN4 — CID 130598650

IUPAC4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn(C)cn2)nc(Cl)c1I
InChIInChI=1S/C9H8ClIN4/c1-5-7(11)8(10)14-9(13-5)6-3-15(2)4-12-6/h3-4H,1-2H3
InChIKeyHAPZWMDOEKSOLX-UHFFFAOYSA-N
MW334.55 g/mol
LogP2.44
Rot. Bonds1

About 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine

4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine (PubChem CID 130598650) has the molecular formula C9H8ClIN4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
PubChem CID130598650
Molecular FormulaC9H8ClIN4
Molecular Weight334.55 g/mol
Exact Mass333.95
IUPAC Name4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn(C)cn2)nc(Cl)c1I
InChIInChI=1S/C9H8ClIN4/c1-5-7(11)8(10)14-9(13-5)6-3-15(2)4-12-6/h3-4H,1-2H3
InChIKeyHAPZWMDOEKSOLX-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine 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-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine (CID 130598650) is 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine is Cc1nc(-c2cn(C)cn2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
The InChIKey is HAPZWMDOEKSOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN4/c1-5-7(11)8(10)14-9(13-5)6-3-15(2)4-12-6/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine has a molecular weight of 334.55 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 130598650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).