3,5-dimethylimidazol-4-amine

C5H9N3 — CID 45116671

IUPAC3,5-dimethylimidazol-4-amine
SMILESCc1ncn(C)c1N
InChIInChI=1S/C5H9N3/c1-4-5(6)8(2)3-7-4/h3H,6H2,1-2H3
InChIKeyGHXKHKWEVUKGHR-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.31
Rot. Bonds

About 3,5-dimethylimidazol-4-amine

3,5-dimethylimidazol-4-amine (PubChem CID 45116671) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3,5-dimethylimidazol-4-amine.

Molecular Properties

Compound Name3,5-dimethylimidazol-4-amine
PubChem CID45116671
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3,5-dimethylimidazol-4-amine
SMILESCc1ncn(C)c1N
InChIInChI=1S/C5H9N3/c1-4-5(6)8(2)3-7-4/h3H,6H2,1-2H3
InChIKeyGHXKHKWEVUKGHR-UHFFFAOYSA-N
XLogP0.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethylimidazol-4-amine 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 3,5-dimethylimidazol-4-amine?
The IUPAC name of 3,5-dimethylimidazol-4-amine (CID 45116671) is 3,5-dimethylimidazol-4-amine.
What is the SMILES notation for 3,5-dimethylimidazol-4-amine?
The canonical SMILES for 3,5-dimethylimidazol-4-amine is Cc1ncn(C)c1N.
What is the InChIKey of 3,5-dimethylimidazol-4-amine?
The InChIKey is GHXKHKWEVUKGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-5(6)8(2)3-7-4/h3H,6H2,1-2H3.
What are the key properties of 3,5-dimethylimidazol-4-amine?
3,5-dimethylimidazol-4-amine has a molecular weight of 111.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylimidazol-4-amine is sourced from PubChem (CID 45116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).