5-bromo-4-chloro-2-ethoxypyrimidine

C6H6BrClN2O — CID 130053493

IUPAC5-bromo-4-chloro-2-ethoxypyrimidine
SMILESCCOc1ncc(Br)c(Cl)n1
InChIInChI=1S/C6H6BrClN2O/c1-2-11-6-9-3-4(7)5(8)10-6/h3H,2H2,1H3
InChIKeyZHQRRKHPRXYKRI-UHFFFAOYSA-N
MW237.48 g/mol
LogP2.29
Rot. Bonds2

About 5-bromo-4-chloro-2-ethoxypyrimidine

5-bromo-4-chloro-2-ethoxypyrimidine (PubChem CID 130053493) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethoxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethoxypyrimidine
PubChem CID130053493
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name5-bromo-4-chloro-2-ethoxypyrimidine
SMILESCCOc1ncc(Br)c(Cl)n1
InChIInChI=1S/C6H6BrClN2O/c1-2-11-6-9-3-4(7)5(8)10-6/h3H,2H2,1H3
InChIKeyZHQRRKHPRXYKRI-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethoxy-5-fluoropyrimidine
CID 2762962
5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
CID 106815020
5-bromo-4-chloro-2-(methoxymethyl)pyrimidine
CID 66294698
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
CID 102927230
5-bromo-4-chloro-2-fluoropyrimidine
CID 174338994
4-chloro-2-ethoxypyrimidine
CID 13244895
5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
CID 159405542
5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine
CID 66292644
5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine
CID 66294486
5-bromo-4-chloro-2-[(3,4-dimethylphenyl)methyl]pyrimidine
CID 66294911
2,4-dichloro-5-ethoxypyrimidine
CID 15565270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethoxypyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-ethoxypyrimidine (CID 130053493) is 5-bromo-4-chloro-2-ethoxypyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-ethoxypyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-ethoxypyrimidine is CCOc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-ethoxypyrimidine?
The InChIKey is ZHQRRKHPRXYKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-2-11-6-9-3-4(7)5(8)10-6/h3H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethoxypyrimidine?
5-bromo-4-chloro-2-ethoxypyrimidine has a molecular weight of 237.48 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethoxypyrimidine is sourced from PubChem (CID 130053493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).