5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine

C8H10BrClN2O — CID 106815020

IUPAC5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
SMILESCCOCCc1ncc(Br)c(Cl)n1
InChIInChI=1S/C8H10BrClN2O/c1-2-13-4-3-7-11-5-6(9)8(10)12-7/h5H,2-4H2,1H3
InChIKeyADPBDKCAHDJHEW-UHFFFAOYSA-N
MW265.54 g/mol
LogP2.47
Rot. Bonds4

About 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine

5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine (PubChem CID 106815020) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
PubChem CID106815020
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
SMILESCCOCCc1ncc(Br)c(Cl)n1
InChIInChI=1S/C8H10BrClN2O/c1-2-13-4-3-7-11-5-6(9)8(10)12-7/h5H,2-4H2,1H3
InChIKeyADPBDKCAHDJHEW-UHFFFAOYSA-N
XLogP2.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
CID 102927230
5-bromo-4-chloro-2-ethoxypyrimidine
CID 130053493
5-bromo-4-chloro-2-(methoxymethyl)pyrimidine
CID 66294698
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
4,6-dichloro-2-(2-ethoxyethyl)-5-ethylpyrimidine
CID 106815000
4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
CID 106814990
4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
CID 106815035
5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine
CID 66292644
4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106815017
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
CID 106815490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine (CID 106815020) is 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine is CCOCCc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine?
The InChIKey is ADPBDKCAHDJHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c1-2-13-4-3-7-11-5-6(9)8(10)12-7/h5H,2-4H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine?
5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine has a molecular weight of 265.54 g/mol, XLogP of 2.47, 4 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-(2-ethoxyethyl)pyrimidine is sourced from PubChem (CID 106815020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).