2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine

C11H16BrN3 — CID 95823552

IUPAC2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine
SMILESCN1CCC[C@H]1CCc1cnc(Br)cn1
InChIInChI=1S/C11H16BrN3/c1-15-6-2-3-10(15)5-4-9-7-14-11(12)8-13-9/h7-8,10H,2-6H2,1H3/t10-/m0/s1
InChIKeyUWTUBLPALRKEQQ-JTQLQIEISA-N
MW270.17 g/mol
LogP2.27
Rot. Bonds3

About 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine

2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine (PubChem CID 95823552) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine.

Molecular Properties

Compound Name2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine
PubChem CID95823552
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine
SMILESCN1CCC[C@H]1CCc1cnc(Br)cn1
InChIInChI=1S/C11H16BrN3/c1-15-6-2-3-10(15)5-4-9-7-14-11(12)8-13-9/h7-8,10H,2-6H2,1H3/t10-/m0/s1
InChIKeyUWTUBLPALRKEQQ-JTQLQIEISA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821
tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate
CID 66509380
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
CID 129407000
4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 68982243
2-methoxy-6-[2-(1-methylpiperidin-2-yl)ethyl]pyridine
CID 101453040
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine
CID 65469032
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62321625
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
CID 95804418
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine?
The IUPAC name of 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine (CID 95823552) is 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine.
What is the SMILES notation for 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine?
The canonical SMILES for 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine is CN1CCC[C@H]1CCc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine?
The InChIKey is UWTUBLPALRKEQQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16BrN3/c1-15-6-2-3-10(15)5-4-9-7-14-11(12)8-13-9/h7-8,10H,2-6H2,1H3/t10-/m0/s1.
What are the key properties of 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine?
2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine has a molecular weight of 270.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine is sourced from PubChem (CID 95823552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).