5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine

C8H6BrClN4 — CID 130598652

IUPAC5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCn1cnc(-c2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C8H6BrClN4/c1-14-3-6(12-4-14)8-11-2-5(9)7(10)13-8/h2-4H,1H3
InChIKeyJNLAZQRCQMWTND-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.29
Rot. Bonds1

About 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine

5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine (PubChem CID 130598652) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine
PubChem CID130598652
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCn1cnc(-c2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C8H6BrClN4/c1-14-3-6(12-4-14)8-11-2-5(9)7(10)13-8/h2-4H,1H3
InChIKeyJNLAZQRCQMWTND-UHFFFAOYSA-N
XLogP2.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-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

Related Compounds

5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598648
4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598650
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
5-bromo-4-chloro-2-(2-phenyltriazol-4-yl)pyrimidine
CID 66312088
4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
CID 107976184
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)pyrimidine
CID 103347910
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
CID 114556697
5-bromo-4-chloro-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrimidine
CID 164661947
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine
CID 59830304
5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
CID 130590473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine (CID 130598652) is 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine is Cn1cnc(-c2ncc(Br)c(Cl)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine?
The InChIKey is JNLAZQRCQMWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c1-14-3-6(12-4-14)8-11-2-5(9)7(10)13-8/h2-4H,1H3.
What are the key properties of 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine?
5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine has a molecular weight of 273.52 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 130598652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).