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

C14H22BrN5 — CID 79166678

IUPAC2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H22BrN5/c1-4-19(5-2)9-11(3)16-6-12-7-18-14-8-17-13(15)10-20(12)14/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyJYNIXASHTCXIKV-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.31
Rot. Bonds7

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

2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 79166678) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID79166678
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H22BrN5/c1-4-19(5-2)9-11(3)16-6-12-7-18-14-8-17-13(15)10-20(12)14/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyJYNIXASHTCXIKV-UHFFFAOYSA-N
XLogP2.31
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (CID 79166678) is 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NCc1cnc2cnc(Br)cn12.
What is the InChIKey of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is JYNIXASHTCXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-4-19(5-2)9-11(3)16-6-12-7-18-14-8-17-13(15)10-20(12)14/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 340.27 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 79166678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).