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

C13H17BrN4 — CID 114107215

IUPAC1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2cnc3cnc(Br)cn23)CCC1
InChIInChI=1S/C13H17BrN4/c1-13(3-2-4-13)9-15-5-10-6-17-12-7-16-11(14)8-18(10)12/h6-8,15H,2-5,9H2,1H3
InChIKeyBWMCTOKTGACVGJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.77
Rot. Bonds4

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

1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 114107215) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID114107215
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2cnc3cnc(Br)cn23)CCC1
InChIInChI=1S/C13H17BrN4/c1-13(3-2-4-13)9-15-5-10-6-17-12-7-16-11(14)8-18(10)12/h6-8,15H,2-5,9H2,1H3
InChIKeyBWMCTOKTGACVGJ-UHFFFAOYSA-N
XLogP2.77
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 114107215) is 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is CC1(CNCc2cnc3cnc(Br)cn23)CCC1.
What is the InChIKey of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is BWMCTOKTGACVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-13(3-2-4-13)9-15-5-10-6-17-12-7-16-11(14)8-18(10)12/h6-8,15H,2-5,9H2,1H3.
What are the key properties of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 309.21 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 114107215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).