2-bromo-5-(chloromethyl)pyrimidine

C5H4BrClN2 — CID 133054042

IUPAC2-bromo-5-(chloromethyl)pyrimidine
SMILESClCc1cnc(Br)nc1
InChIInChI=1S/C5H4BrClN2/c6-5-8-2-4(1-7)3-9-5/h2-3H,1H2
InChIKeyIHAIWZWZHWMZJD-UHFFFAOYSA-N
MW207.46 g/mol
LogP1.98
Rot. Bonds1

About 2-bromo-5-(chloromethyl)pyrimidine

2-bromo-5-(chloromethyl)pyrimidine (PubChem CID 133054042) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 2-bromo-5-(chloromethyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-5-(chloromethyl)pyrimidine
PubChem CID133054042
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name2-bromo-5-(chloromethyl)pyrimidine
SMILESClCc1cnc(Br)nc1
InChIInChI=1S/C5H4BrClN2/c6-5-8-2-4(1-7)3-9-5/h2-3H,1H2
InChIKeyIHAIWZWZHWMZJD-UHFFFAOYSA-N
XLogP1.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(chloromethyl)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 2-bromo-5-(chloromethyl)pyrimidine?
The IUPAC name of 2-bromo-5-(chloromethyl)pyrimidine (CID 133054042) is 2-bromo-5-(chloromethyl)pyrimidine.
What is the SMILES notation for 2-bromo-5-(chloromethyl)pyrimidine?
The canonical SMILES for 2-bromo-5-(chloromethyl)pyrimidine is ClCc1cnc(Br)nc1.
What is the InChIKey of 2-bromo-5-(chloromethyl)pyrimidine?
The InChIKey is IHAIWZWZHWMZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c6-5-8-2-4(1-7)3-9-5/h2-3H,1H2.
What are the key properties of 2-bromo-5-(chloromethyl)pyrimidine?
2-bromo-5-(chloromethyl)pyrimidine has a molecular weight of 207.46 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(chloromethyl)pyrimidine is sourced from PubChem (CID 133054042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).