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

C13H19BrN4O2 — CID 79175631

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H19BrN4O2/c1-19-5-6-20-4-2-3-15-7-11-8-17-13-9-16-12(14)10-18(11)13/h8-10,15H,2-7H2,1H3
InChIKeyBUIGWIWITVEKPH-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.63
Rot. Bonds9

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 79175631) 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]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID79175631
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H19BrN4O2/c1-19-5-6-20-4-2-3-15-7-11-8-17-13-9-16-12(14)10-18(11)13/h8-10,15H,2-7H2,1H3
InChIKeyBUIGWIWITVEKPH-UHFFFAOYSA-N
XLogP1.63
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 79175631) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is BUIGWIWITVEKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-19-5-6-20-4-2-3-15-7-11-8-17-13-9-16-12(14)10-18(11)13/h8-10,15H,2-7H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 343.23 g/mol, XLogP of 1.63, 9 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]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 79175631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).