4-(2,2-dibromoethenyl)pyrimidine

C6H4Br2N2 — CID 130532154

IUPAC4-(2,2-dibromoethenyl)pyrimidine
SMILESBrC(Br)=Cc1ccncn1
InChIInChI=1S/C6H4Br2N2/c7-6(8)3-5-1-2-9-4-10-5/h1-4H
InChIKeyBIVQXUCKIIQRID-UHFFFAOYSA-N
MW263.92 g/mol
LogP2.56
Rot. Bonds1

About 4-(2,2-dibromoethenyl)pyrimidine

4-(2,2-dibromoethenyl)pyrimidine (PubChem CID 130532154) has the molecular formula C6H4Br2N2 and a molecular weight of 263.92 g/mol. Its IUPAC name is 4-(2,2-dibromoethenyl)pyrimidine.

Molecular Properties

Compound Name4-(2,2-dibromoethenyl)pyrimidine
PubChem CID130532154
Molecular FormulaC6H4Br2N2
Molecular Weight263.92 g/mol
Exact Mass261.87
IUPAC Name4-(2,2-dibromoethenyl)pyrimidine
SMILESBrC(Br)=Cc1ccncn1
InChIInChI=1S/C6H4Br2N2/c7-6(8)3-5-1-2-9-4-10-5/h1-4H
InChIKeyBIVQXUCKIIQRID-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.92
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dibromoethenyl)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-(2,2-dibromoethenyl)pyrimidine?
The IUPAC name of 4-(2,2-dibromoethenyl)pyrimidine (CID 130532154) is 4-(2,2-dibromoethenyl)pyrimidine.
What is the SMILES notation for 4-(2,2-dibromoethenyl)pyrimidine?
The canonical SMILES for 4-(2,2-dibromoethenyl)pyrimidine is BrC(Br)=Cc1ccncn1.
What is the InChIKey of 4-(2,2-dibromoethenyl)pyrimidine?
The InChIKey is BIVQXUCKIIQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2N2/c7-6(8)3-5-1-2-9-4-10-5/h1-4H.
What are the key properties of 4-(2,2-dibromoethenyl)pyrimidine?
4-(2,2-dibromoethenyl)pyrimidine has a molecular weight of 263.92 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromoethenyl)pyrimidine is sourced from PubChem (CID 130532154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).