2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine

C16H15BrN4O3 — CID 95849195

IUPAC2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOCCNc1c(-c2cc3c(cc2Br)OCO3)nc2cnccn12
InChIInChI=1S/C16H15BrN4O3/c1-22-5-3-19-16-15(20-14-8-18-2-4-21(14)16)10-6-12-13(7-11(10)17)24-9-23-12/h2,4,6-8,19H,3,5,9H2,1H3
InChIKeyUEBYDJQFCSBZMO-UHFFFAOYSA-N
MW391.23 g/mol
LogP2.95
Rot. Bonds5

About 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine

2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 95849195) has the molecular formula C16H15BrN4O3 and a molecular weight of 391.23 g/mol. Its IUPAC name is 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID95849195
Molecular FormulaC16H15BrN4O3
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOCCNc1c(-c2cc3c(cc2Br)OCO3)nc2cnccn12
InChIInChI=1S/C16H15BrN4O3/c1-22-5-3-19-16-15(20-14-8-18-2-4-21(14)16)10-6-12-13(7-11(10)17)24-9-23-12/h2,4,6-8,19H,3,5,9H2,1H3
InChIKeyUEBYDJQFCSBZMO-UHFFFAOYSA-N
XLogP2.95
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine (CID 95849195) is 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine is COCCNc1c(-c2cc3c(cc2Br)OCO3)nc2cnccn12.
What is the InChIKey of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is UEBYDJQFCSBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3/c1-22-5-3-19-16-15(20-14-8-18-2-4-21(14)16)10-6-12-13(7-11(10)17)24-9-23-12/h2,4,6-8,19H,3,5,9H2,1H3.
What are the key properties of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine?
2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 391.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 95849195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).