2-(bromomethyl)-5-ethylpyrimidine

C7H9BrN2 — CID 169043827

IUPAC2-(bromomethyl)-5-ethylpyrimidine
SMILESCCc1cnc(CBr)nc1
InChIInChI=1S/C7H9BrN2/c1-2-6-4-9-7(3-8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyGVUISKCFSLLOET-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.93
Rot. Bonds2

About 2-(bromomethyl)-5-ethylpyrimidine

2-(bromomethyl)-5-ethylpyrimidine (PubChem CID 169043827) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-(bromomethyl)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(bromomethyl)-5-ethylpyrimidine
PubChem CID169043827
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-(bromomethyl)-5-ethylpyrimidine
SMILESCCc1cnc(CBr)nc1
InChIInChI=1S/C7H9BrN2/c1-2-6-4-9-7(3-8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyGVUISKCFSLLOET-UHFFFAOYSA-N
XLogP1.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethylpyrimidine;hydroiodide
CID 143798194
2-(2,2-dimethylpropyl)-5-ethylpyrimidine
CID 146228147
2-(5-ethylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105442920
2-chloro-5-ethylpyrimidine
CID 3572763
3-(bromomethyl)-6-ethylquinoline
CID 95733003
5-ethyl-2-methoxypyrimidine
CID 20754775
5-ethyl-2-propan-2-ylpyrimidine
CID 58333368
5-ethyl-2-pentan-3-ylpyrimidine
CID 130320548
5-ethyl-2-[(E)-prop-1-enyl]pyrimidine
CID 145069367
ethane;5-ethyl-1H-pyrazolo[5,4-b]pyridine
CID 176692042
ethane;5-ethyl-3-methoxy-2-methylpyridine
CID 143989915
2-bromo-5-ethyl-3-methylpyridine
CID 18341142

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-ethylpyrimidine?
The IUPAC name of 2-(bromomethyl)-5-ethylpyrimidine (CID 169043827) is 2-(bromomethyl)-5-ethylpyrimidine.
What is the SMILES notation for 2-(bromomethyl)-5-ethylpyrimidine?
The canonical SMILES for 2-(bromomethyl)-5-ethylpyrimidine is CCc1cnc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-ethylpyrimidine?
The InChIKey is GVUISKCFSLLOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-2-6-4-9-7(3-8)10-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(bromomethyl)-5-ethylpyrimidine?
2-(bromomethyl)-5-ethylpyrimidine has a molecular weight of 201.07 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-ethylpyrimidine is sourced from PubChem (CID 169043827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).