4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine

C11H15BrN2O — CID 66333376

IUPAC4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
SMILESCCOc1cc(CC(Br)C2CC2)ncn1
InChIInChI=1S/C11H15BrN2O/c1-2-15-11-6-9(13-7-14-11)5-10(12)8-3-4-8/h6-8,10H,2-5H2,1H3
InChIKeyZAMZDWCSNWSUIK-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.59
Rot. Bonds5

About 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine

4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine (PubChem CID 66333376) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
PubChem CID66333376
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
SMILESCCOc1cc(CC(Br)C2CC2)ncn1
InChIInChI=1S/C11H15BrN2O/c1-2-15-11-6-9(13-7-14-11)5-10(12)8-3-4-8/h6-8,10H,2-5H2,1H3
InChIKeyZAMZDWCSNWSUIK-UHFFFAOYSA-N
XLogP2.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-bromo-2-(4-methylcyclohexyl)ethyl]-6-methoxypyrimidine
CID 113397617
2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine
CID 63588182
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
CID 66333010
1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 66320832
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
2-(6-ethoxypyrimidin-4-yl)acetaldehyde
CID 83873423
2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol
CID 113397506
4-(2-bromo-3,3-dimethylbutyl)-6-propoxypyrimidine
CID 66331791
4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine
CID 66320835
2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
CID 66318580
1-cyclopropyl-2-(6-ethylpyrimidin-4-yl)ethanamine
CID 63353277

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine?
The IUPAC name of 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine (CID 66333376) is 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine.
What is the SMILES notation for 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine?
The canonical SMILES for 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine is CCOc1cc(CC(Br)C2CC2)ncn1.
What is the InChIKey of 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine?
The InChIKey is ZAMZDWCSNWSUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-15-11-6-9(13-7-14-11)5-10(12)8-3-4-8/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine?
4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine has a molecular weight of 271.16 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine is sourced from PubChem (CID 66333376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).