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

C11H14BrN5O — CID 79165909

IUPAC2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cnc2cnc(Br)cn12)C(N)=O
InChIInChI=1S/C11H14BrN5O/c1-11(2,10(13)18)16-4-7-3-15-9-5-14-8(12)6-17(7)9/h3,5-6,16H,4H2,1-2H3,(H2,13,18)
InChIKeyPEHKIAQQHZCWKJ-UHFFFAOYSA-N
MW312.17 g/mol
LogP0.85
Rot. Bonds4

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

2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide (PubChem CID 79165909) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
PubChem CID79165909
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cnc2cnc(Br)cn12)C(N)=O
InChIInChI=1S/C11H14BrN5O/c1-11(2,10(13)18)16-4-7-3-15-9-5-14-8(12)6-17(7)9/h3,5-6,16H,4H2,1-2H3,(H2,13,18)
InChIKeyPEHKIAQQHZCWKJ-UHFFFAOYSA-N
XLogP0.85
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide (CID 79165909) is 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide is CC(C)(NCc1cnc2cnc(Br)cn12)C(N)=O.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide?
The InChIKey is PEHKIAQQHZCWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-11(2,10(13)18)16-4-7-3-15-9-5-14-8(12)6-17(7)9/h3,5-6,16H,4H2,1-2H3,(H2,13,18).
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide?
2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide has a molecular weight of 312.17 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 79165909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).