5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine

C9H9BrN4 — CID 58485290

IUPAC5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine
SMILESCc1cn(-c2ncc(Br)cn2)c(C)n1
InChIInChI=1S/C9H9BrN4/c1-6-5-14(7(2)13-6)9-11-3-8(10)4-12-9/h3-5H,1-2H3
InChIKeyVAIYZPMMLIJYSU-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.04
Rot. Bonds1

About 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine

5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine (PubChem CID 58485290) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine
PubChem CID58485290
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine
SMILESCc1cn(-c2ncc(Br)cn2)c(C)n1
InChIInChI=1S/C9H9BrN4/c1-6-5-14(7(2)13-6)9-11-3-8(10)4-12-9/h3-5H,1-2H3
InChIKeyVAIYZPMMLIJYSU-UHFFFAOYSA-N
XLogP2.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(2,4-dimethylimidazol-1-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 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine (CID 58485290) is 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine is Cc1cn(-c2ncc(Br)cn2)c(C)n1.
What is the InChIKey of 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine?
The InChIKey is VAIYZPMMLIJYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-6-5-14(7(2)13-6)9-11-3-8(10)4-12-9/h3-5H,1-2H3.
What are the key properties of 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine?
5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine has a molecular weight of 253.10 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 58485290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).