4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine

C6H12N4O — CID 82235522

IUPAC4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine
SMILESCON(C)c1nc(C)[nH]c1N
InChIInChI=1S/C6H12N4O/c1-4-8-5(7)6(9-4)10(2)11-3/h7H2,1-3H3,(H,8,9)
InChIKeyHSLYOGXPJYLAIC-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.30
Rot. Bonds2

About 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine

4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine (PubChem CID 82235522) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine
PubChem CID82235522
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine
SMILESCON(C)c1nc(C)[nH]c1N
InChIInChI=1S/C6H12N4O/c1-4-8-5(7)6(9-4)10(2)11-3/h7H2,1-3H3,(H,8,9)
InChIKeyHSLYOGXPJYLAIC-UHFFFAOYSA-N
XLogP0.30
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine (CID 82235522) is 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine is CON(C)c1nc(C)[nH]c1N.
What is the InChIKey of 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine?
The InChIKey is HSLYOGXPJYLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-8-5(7)6(9-4)10(2)11-3/h7H2,1-3H3,(H,8,9).
What are the key properties of 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine?
4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine has a molecular weight of 156.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82235522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).