1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine

C8H12BrN3O — CID 130941718

IUPAC1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(Br)o1
InChIInChI=1S/C8H12BrN3O/c1-10-8(11-2)12-5-6-3-4-7(9)13-6/h3-4H,5H2,1-2H3,(H2,10,11,12)
InChIKeyIUFVHVUZDZHVCS-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.34
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine

1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine (PubChem CID 130941718) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine
PubChem CID130941718
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(Br)o1
InChIInChI=1S/C8H12BrN3O/c1-10-8(11-2)12-5-6-3-4-7(9)13-6/h3-4H,5H2,1-2H3,(H2,10,11,12)
InChIKeyIUFVHVUZDZHVCS-UHFFFAOYSA-N
XLogP1.34
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine 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 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine (CID 130941718) is 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
The InChIKey is IUFVHVUZDZHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-10-8(11-2)12-5-6-3-4-7(9)13-6/h3-4H,5H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine has a molecular weight of 246.11 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 130941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).