3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C14H13BrN4S — CID 747963

IUPAC3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2nc3ccccn3c2Br)n1
InChIInChI=1S/C14H13BrN4S/c1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11/h3-7H,8H2,1-2H3
InChIKeyVXWSFPUXSUYDJD-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.80
Rot. Bonds3

About 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 747963) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID747963
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2nc3ccccn3c2Br)n1
InChIInChI=1S/C14H13BrN4S/c1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11/h3-7H,8H2,1-2H3
InChIKeyVXWSFPUXSUYDJD-UHFFFAOYSA-N
XLogP3.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine 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 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 747963) is 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cc(C)nc(SCc2nc3ccccn3c2Br)n1.
What is the InChIKey of 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is VXWSFPUXSUYDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11/h3-7H,8H2,1-2H3.
What are the key properties of 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 349.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 747963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).