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

C13H19BrN4O2 — CID 79548562

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cnc2cnc(Br)cn12)OCC
InChIInChI=1S/C13H19BrN4O2/c1-3-19-13(20-4-2)8-15-5-10-6-17-12-7-16-11(14)9-18(10)12/h6-7,9,13,15H,3-5,8H2,1-2H3
InChIKeyQKTSSJKTLNVCNS-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.98
Rot. Bonds8

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine (PubChem CID 79548562) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
PubChem CID79548562
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cnc2cnc(Br)cn12)OCC
InChIInChI=1S/C13H19BrN4O2/c1-3-19-13(20-4-2)8-15-5-10-6-17-12-7-16-11(14)9-18(10)12/h6-7,9,13,15H,3-5,8H2,1-2H3
InChIKeyQKTSSJKTLNVCNS-UHFFFAOYSA-N
XLogP1.98
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
CID 79164166
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
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
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 79175631
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79164800
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79164804
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine (CID 79548562) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine is CCOC(CNCc1cnc2cnc(Br)cn12)OCC.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine?
The InChIKey is QKTSSJKTLNVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-3-19-13(20-4-2)8-15-5-10-6-17-12-7-16-11(14)9-18(10)12/h6-7,9,13,15H,3-5,8H2,1-2H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine has a molecular weight of 343.23 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 79548562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).