3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine

C11H16BrN3 — CID 80680091

IUPAC3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCC(CBr)C2)n1
InChIInChI=1S/C11H16BrN3/c1-8-6-13-9(2)11(14-8)15-4-3-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyZRCAFCMBGKHSLG-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.31
Rot. Bonds2

About 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine

3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine (PubChem CID 80680091) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
PubChem CID80680091
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCC(CBr)C2)n1
InChIInChI=1S/C11H16BrN3/c1-8-6-13-9(2)11(14-8)15-4-3-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyZRCAFCMBGKHSLG-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
2-(bromomethyl)-4-(3,6-dimethylpyrazin-2-yl)morpholine
CID 81210895
4-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 133469851
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875

Frequently Asked Questions

What is the IUPAC name of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine (CID 80680091) is 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCC(CBr)C2)n1.
What is the InChIKey of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is ZRCAFCMBGKHSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-6-13-9(2)11(14-8)15-4-3-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 270.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 80680091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).