5-(dibromomethyl)-2-methylpyrimidine

C6H6Br2N2 — CID 153358467

IUPAC5-(dibromomethyl)-2-methylpyrimidine
SMILESCc1ncc(C(Br)Br)cn1
InChIInChI=1S/C6H6Br2N2/c1-4-9-2-5(3-10-4)6(7)8/h2-3,6H,1H3
InChIKeyCBLJZTCRDPPVRG-UHFFFAOYSA-N
MW265.94 g/mol
LogP2.57
Rot. Bonds1

About 5-(dibromomethyl)-2-methylpyrimidine

5-(dibromomethyl)-2-methylpyrimidine (PubChem CID 153358467) has the molecular formula C6H6Br2N2 and a molecular weight of 265.94 g/mol. Its IUPAC name is 5-(dibromomethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(dibromomethyl)-2-methylpyrimidine
PubChem CID153358467
Molecular FormulaC6H6Br2N2
Molecular Weight265.94 g/mol
Exact Mass263.89
IUPAC Name5-(dibromomethyl)-2-methylpyrimidine
SMILESCc1ncc(C(Br)Br)cn1
InChIInChI=1S/C6H6Br2N2/c1-4-9-2-5(3-10-4)6(7)8/h2-3,6H,1H3
InChIKeyCBLJZTCRDPPVRG-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.94
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(dibromomethyl)-2-methylpyrimidine 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-(dibromomethyl)-2-methylpyrimidine?
The IUPAC name of 5-(dibromomethyl)-2-methylpyrimidine (CID 153358467) is 5-(dibromomethyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(dibromomethyl)-2-methylpyrimidine?
The canonical SMILES for 5-(dibromomethyl)-2-methylpyrimidine is Cc1ncc(C(Br)Br)cn1.
What is the InChIKey of 5-(dibromomethyl)-2-methylpyrimidine?
The InChIKey is CBLJZTCRDPPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2/c1-4-9-2-5(3-10-4)6(7)8/h2-3,6H,1H3.
What are the key properties of 5-(dibromomethyl)-2-methylpyrimidine?
5-(dibromomethyl)-2-methylpyrimidine has a molecular weight of 265.94 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibromomethyl)-2-methylpyrimidine is sourced from PubChem (CID 153358467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).