2-bromo-4,6-dimethylpyrimidine

C6H7BrN2 — CID 12758425

IUPAC2-bromo-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Br)n1
InChIInChI=1S/C6H7BrN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKeyOUOPRQQOGBFPHV-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.86
Rot. Bonds

About 2-bromo-4,6-dimethylpyrimidine

2-bromo-4,6-dimethylpyrimidine (PubChem CID 12758425) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 2-bromo-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-bromo-4,6-dimethylpyrimidine
PubChem CID12758425
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name2-bromo-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Br)n1
InChIInChI=1S/C6H7BrN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKeyOUOPRQQOGBFPHV-UHFFFAOYSA-N
XLogP1.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4,6-dimethylpyrimidine 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 2-bromo-4,6-dimethylpyrimidine?
The IUPAC name of 2-bromo-4,6-dimethylpyrimidine (CID 12758425) is 2-bromo-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-bromo-4,6-dimethylpyrimidine?
The canonical SMILES for 2-bromo-4,6-dimethylpyrimidine is Cc1cc(C)nc(Br)n1.
What is the InChIKey of 2-bromo-4,6-dimethylpyrimidine?
The InChIKey is OUOPRQQOGBFPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3.
What are the key properties of 2-bromo-4,6-dimethylpyrimidine?
2-bromo-4,6-dimethylpyrimidine has a molecular weight of 187.04 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-dimethylpyrimidine is sourced from PubChem (CID 12758425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).