3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide

C12H16BrN5O — CID 79164137

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C12H16BrN5O/c1-17(2)12(19)3-4-14-5-9-6-16-11-7-15-10(13)8-18(9)11/h6-8,14H,3-5H2,1-2H3
InChIKeyGKUNMRRNLYMGLU-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.06
Rot. Bonds5

About 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide

3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 79164137) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID79164137
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C12H16BrN5O/c1-17(2)12(19)3-4-14-5-9-6-16-11-7-15-10(13)8-18(9)11/h6-8,14H,3-5H2,1-2H3
InChIKeyGKUNMRRNLYMGLU-UHFFFAOYSA-N
XLogP1.06
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide (CID 79164137) is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is GKUNMRRNLYMGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-17(2)12(19)3-4-14-5-9-6-16-11-7-15-10(13)8-18(9)11/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide?
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 326.20 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 79164137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).