5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine

C9H12BrClN2O2 — CID 102927230

IUPAC5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
SMILESCOCCOCCc1ncc(Br)c(Cl)n1
InChIInChI=1S/C9H12BrClN2O2/c1-14-4-5-15-3-2-8-12-6-7(10)9(11)13-8/h6H,2-5H2,1H3
InChIKeyHUTKZKIACMISRI-UHFFFAOYSA-N
MW295.56 g/mol
LogP2.10
Rot. Bonds6

About 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine

5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine (PubChem CID 102927230) has the molecular formula C9H12BrClN2O2 and a molecular weight of 295.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
PubChem CID102927230
Molecular FormulaC9H12BrClN2O2
Molecular Weight295.56 g/mol
Exact Mass293.98
IUPAC Name5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
SMILESCOCCOCCc1ncc(Br)c(Cl)n1
InChIInChI=1S/C9H12BrClN2O2/c1-14-4-5-15-3-2-8-12-6-7(10)9(11)13-8/h6H,2-5H2,1H3
InChIKeyHUTKZKIACMISRI-UHFFFAOYSA-N
XLogP2.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.56
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine (CID 102927230) is 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine is COCCOCCc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine?
The InChIKey is HUTKZKIACMISRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2/c1-14-4-5-15-3-2-8-12-6-7(10)9(11)13-8/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine?
5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine has a molecular weight of 295.56 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine is sourced from PubChem (CID 102927230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).