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

C12H18BrN5 — CID 82945103

IUPAC2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C12H18BrN5/c1-9(7-17(2)3)14-4-10-5-16-12-6-15-11(13)8-18(10)12/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyCVBHTDMNBCEARA-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.53
Rot. Bonds5

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

2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945103) has the molecular formula C12H18BrN5 and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945103
Molecular FormulaC12H18BrN5
Molecular Weight312.22 g/mol
Exact Mass311.07
IUPAC Name2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C12H18BrN5/c1-9(7-17(2)3)14-4-10-5-16-12-6-15-11(13)8-18(10)12/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyCVBHTDMNBCEARA-UHFFFAOYSA-N
XLogP1.53
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine
CID 81387509
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79164568
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350644
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 79165689
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040343
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79166303
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407048
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 79165899
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
CID 79164137

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945103) is 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NCc1cnc2cnc(Br)cn12.
What is the InChIKey of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is CVBHTDMNBCEARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5/c1-9(7-17(2)3)14-4-10-5-16-12-6-15-11(13)8-18(10)12/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of 2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 312.22 g/mol, XLogP of 1.53, 5 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-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).