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

C12H11BrN4O — CID 79176006

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
SMILESBrc1cn2c(CNCc3ccco3)cnc2cn1
InChIInChI=1S/C12H11BrN4O/c13-11-8-17-9(5-16-12(17)7-15-11)4-14-6-10-2-1-3-18-10/h1-3,5,7-8,14H,4,6H2
InChIKeyJWMXPJOQQVVPFP-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.37
Rot. Bonds4

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 79176006) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID79176006
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
SMILESBrc1cn2c(CNCc3ccco3)cnc2cn1
InChIInChI=1S/C12H11BrN4O/c13-11-8-17-9(5-16-12(17)7-15-11)4-14-6-10-2-1-3-18-10/h1-3,5,7-8,14H,4,6H2
InChIKeyJWMXPJOQQVVPFP-UHFFFAOYSA-N
XLogP2.37
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine (CID 79176006) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine is Brc1cn2c(CNCc3ccco3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is JWMXPJOQQVVPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-11-8-17-9(5-16-12(17)7-15-11)4-14-6-10-2-1-3-18-10/h1-3,5,7-8,14H,4,6H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 307.15 g/mol, XLogP of 2.37, 4 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]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 79176006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).