N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C15H24BrN5 — CID 79166303

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C15H24BrN5/c1-12(2)20(3)7-5-4-6-17-8-13-9-19-15-10-18-14(16)11-21(13)15/h9-12,17H,4-8H2,1-3H3
InChIKeyWUWFMMTZYQMENE-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.70
Rot. Bonds8

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 79166303) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID79166303
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C15H24BrN5/c1-12(2)20(3)7-5-4-6-17-8-13-9-19-15-10-18-14(16)11-21(13)15/h9-12,17H,4-8H2,1-3H3
InChIKeyWUWFMMTZYQMENE-UHFFFAOYSA-N
XLogP2.70
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 79166303) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is WUWFMMTZYQMENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-12(2)20(3)7-5-4-6-17-8-13-9-19-15-10-18-14(16)11-21(13)15/h9-12,17H,4-8H2,1-3H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 354.30 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 79166303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).