4-(bromomethyl)-5-chloropyrimidine

C5H4BrClN2 — CID 118464753

IUPAC4-(bromomethyl)-5-chloropyrimidine
SMILESClc1cncnc1CBr
InChIInChI=1S/C5H4BrClN2/c6-1-5-4(7)2-8-3-9-5/h2-3H,1H2
InChIKeyOMLVUPYGEZPQQQ-UHFFFAOYSA-N
MW207.46 g/mol
LogP2.02
Rot. Bonds1

About 4-(bromomethyl)-5-chloropyrimidine

4-(bromomethyl)-5-chloropyrimidine (PubChem CID 118464753) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 4-(bromomethyl)-5-chloropyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-5-chloropyrimidine
PubChem CID118464753
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name4-(bromomethyl)-5-chloropyrimidine
SMILESClc1cncnc1CBr
InChIInChI=1S/C5H4BrClN2/c6-1-5-4(7)2-8-3-9-5/h2-3H,1H2
InChIKeyOMLVUPYGEZPQQQ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-chloropyrimidine 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-chloro-4-ethylpyrimidine
CID 19892100
3-[(5-chloropyrimidin-4-yl)methylamino]propan-1-ol
CID 163441322
2-(bromomethyl)-3-chloro-5-iodopyridine
CID 133061012
5-chloro-4-iodopyrimidine
CID 112694385
4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine
CID 130088742
5-bromo-4-(fluoromethyl)pyrimidine
CID 105444628
5-bromo-4-(2-chloropropyl)pyrimidine
CID 66320721
5-bromo-4-prop-2-enylpyrimidine
CID 119085370
2-(bromomethyl)-5-chloro-3-iodopyridine
CID 133059296
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704
2-(5-chloropyrimidin-4-yl)oxyacetic acid
CID 105370323
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-chloropyrimidine?
The IUPAC name of 4-(bromomethyl)-5-chloropyrimidine (CID 118464753) is 4-(bromomethyl)-5-chloropyrimidine.
What is the SMILES notation for 4-(bromomethyl)-5-chloropyrimidine?
The canonical SMILES for 4-(bromomethyl)-5-chloropyrimidine is Clc1cncnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-chloropyrimidine?
The InChIKey is OMLVUPYGEZPQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c6-1-5-4(7)2-8-3-9-5/h2-3H,1H2.
What are the key properties of 4-(bromomethyl)-5-chloropyrimidine?
4-(bromomethyl)-5-chloropyrimidine has a molecular weight of 207.46 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-chloropyrimidine is sourced from PubChem (CID 118464753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).