3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide

C11H14BrN5O — CID 106098030

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H14BrN5O/c1-11(2,5-8(13)18)16-9-10-14-3-4-17(10)6-7(12)15-9/h3-4,6H,5H2,1-2H3,(H2,13,18)(H,15,16)
InChIKeySHHKEFUKSPYXTE-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.56
Rot. Bonds4

About 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide

3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide (PubChem CID 106098030) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide
PubChem CID106098030
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H14BrN5O/c1-11(2,5-8(13)18)16-9-10-14-3-4-17(10)6-7(12)15-9/h3-4,6H,5H2,1-2H3,(H2,13,18)(H,15,16)
InChIKeySHHKEFUKSPYXTE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide
CID 114143250
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide
CID 79958127
6-bromo-N-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958300
2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylacetamide
CID 79956326
2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]acetamide
CID 79955532
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpropan-1-ol
CID 79947296
2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpropan-1-ol
CID 80907261
6-bromo-N-hexylimidazo[1,2-a]pyrazin-8-amine
CID 79946477
6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946641
N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 106193384
6-bromo-N-(2-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine
CID 102699944
3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311300

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide (CID 106098030) is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1nc(Br)cn2ccnc12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide?
The InChIKey is SHHKEFUKSPYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-11(2,5-8(13)18)16-9-10-14-3-4-17(10)6-7(12)15-9/h3-4,6H,5H2,1-2H3,(H2,13,18)(H,15,16).
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide?
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide has a molecular weight of 312.17 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).