5-bromo-2-chloro-4-methoxypyrimidine

C5H4BrClN2O — CID 3663143

IUPAC5-bromo-2-chloro-4-methoxypyrimidine
SMILESCOc1nc(Cl)ncc1Br
InChIInChI=1S/C5H4BrClN2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKeyZPPORMCRNCNFGX-UHFFFAOYSA-N
MW223.46 g/mol
LogP1.90
Rot. Bonds1

About 5-bromo-2-chloro-4-methoxypyrimidine

5-bromo-2-chloro-4-methoxypyrimidine (PubChem CID 3663143) has the molecular formula C5H4BrClN2O and a molecular weight of 223.46 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methoxypyrimidine
PubChem CID3663143
Molecular FormulaC5H4BrClN2O
Molecular Weight223.46 g/mol
Exact Mass221.92
IUPAC Name5-bromo-2-chloro-4-methoxypyrimidine
SMILESCOc1nc(Cl)ncc1Br
InChIInChI=1S/C5H4BrClN2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKeyZPPORMCRNCNFGX-UHFFFAOYSA-N
XLogP1.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-4-methoxypyrimidine 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-bromo-2-chloro-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-methoxypyrimidine (CID 3663143) is 5-bromo-2-chloro-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-methoxypyrimidine is COc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-methoxypyrimidine?
The InChIKey is ZPPORMCRNCNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3.
What are the key properties of 5-bromo-2-chloro-4-methoxypyrimidine?
5-bromo-2-chloro-4-methoxypyrimidine has a molecular weight of 223.46 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methoxypyrimidine is sourced from PubChem (CID 3663143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).