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

C12H18BrN3 — CID 102786337

IUPAC5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine
SMILESCc1ncc(N2CCC(C)C2CBr)nc1C
InChIInChI=1S/C12H18BrN3/c1-8-4-5-16(11(8)6-13)12-7-14-9(2)10(3)15-12/h7-8,11H,4-6H2,1-3H3
InChIKeyWIQSLAPUGXMDSG-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.70
Rot. Bonds2

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

5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine (PubChem CID 102786337) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine
PubChem CID102786337
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine
SMILESCc1ncc(N2CCC(C)C2CBr)nc1C
InChIInChI=1S/C12H18BrN3/c1-8-4-5-16(11(8)6-13)12-7-14-9(2)10(3)15-12/h7-8,11H,4-6H2,1-3H3
InChIKeyWIQSLAPUGXMDSG-UHFFFAOYSA-N
XLogP2.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.70
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

5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine
CID 102786240
4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-2-methoxypyrimidine
CID 102786275
5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine
CID 114477528
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728
2-[1-(5,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 114476751
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102783996
[1-(6-aminopyrazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789805
2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine
CID 102786075
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine?
The IUPAC name of 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine (CID 102786337) is 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine.
What is the SMILES notation for 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine?
The canonical SMILES for 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine is Cc1ncc(N2CCC(C)C2CBr)nc1C.
What is the InChIKey of 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine?
The InChIKey is WIQSLAPUGXMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-4-5-16(11(8)6-13)12-7-14-9(2)10(3)15-12/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine?
5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine has a molecular weight of 284.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine is sourced from PubChem (CID 102786337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).