4-methylfuran-2,3-diamine

C5H8N2O — CID 69333769

IUPAC4-methylfuran-2,3-diamine
SMILESCc1coc(N)c1N
InChIInChI=1S/C5H8N2O/c1-3-2-8-5(7)4(3)6/h2H,6-7H2,1H3
InChIKeyMJMBEZGHYINIMC-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.75
Rot. Bonds

About 4-methylfuran-2,3-diamine

4-methylfuran-2,3-diamine (PubChem CID 69333769) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methylfuran-2,3-diamine.

Molecular Properties

Compound Name4-methylfuran-2,3-diamine
PubChem CID69333769
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-methylfuran-2,3-diamine
SMILESCc1coc(N)c1N
InChIInChI=1S/C5H8N2O/c1-3-2-8-5(7)4(3)6/h2H,6-7H2,1H3
InChIKeyMJMBEZGHYINIMC-UHFFFAOYSA-N
XLogP0.75
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methylfuran-2,3-diamine 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 4-methylfuran-2,3-diamine?
The IUPAC name of 4-methylfuran-2,3-diamine (CID 69333769) is 4-methylfuran-2,3-diamine.
What is the SMILES notation for 4-methylfuran-2,3-diamine?
The canonical SMILES for 4-methylfuran-2,3-diamine is Cc1coc(N)c1N.
What is the InChIKey of 4-methylfuran-2,3-diamine?
The InChIKey is MJMBEZGHYINIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-2-8-5(7)4(3)6/h2H,6-7H2,1H3.
What are the key properties of 4-methylfuran-2,3-diamine?
4-methylfuran-2,3-diamine has a molecular weight of 112.13 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylfuran-2,3-diamine is sourced from PubChem (CID 69333769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).