N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine

C13H17BrN4 — CID 79164151

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2cnc3cnc(Br)cn23)CCCC1
InChIInChI=1S/C13H17BrN4/c1-13(4-2-3-5-13)17-7-10-6-16-12-8-15-11(14)9-18(10)12/h6,8-9,17H,2-5,7H2,1H3
InChIKeyUGDKNPUOZJYQII-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.91
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 79164151) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine
PubChem CID79164151
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2cnc3cnc(Br)cn23)CCCC1
InChIInChI=1S/C13H17BrN4/c1-13(4-2-3-5-13)17-7-10-6-16-12-8-15-11(14)9-18(10)12/h6,8-9,17H,2-5,7H2,1H3
InChIKeyUGDKNPUOZJYQII-UHFFFAOYSA-N
XLogP2.91
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine (CID 79164151) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine is CC1(NCc2cnc3cnc(Br)cn23)CCCC1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is UGDKNPUOZJYQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-13(4-2-3-5-13)17-7-10-6-16-12-8-15-11(14)9-18(10)12/h6,8-9,17H,2-5,7H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 79164151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).