4-amino-2,5-dimethylimidazole-1-carboxylic acid

C6H9N3O2 — CID 58435667

IUPAC4-amino-2,5-dimethylimidazole-1-carboxylic acid
SMILESCc1nc(N)c(C)n1C(=O)O
InChIInChI=1S/C6H9N3O2/c1-3-5(7)8-4(2)9(3)6(10)11/h7H2,1-2H3,(H,10,11)
InChIKeyAFGHFADBYNFERK-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.61
Rot. Bonds

About 4-amino-2,5-dimethylimidazole-1-carboxylic acid

4-amino-2,5-dimethylimidazole-1-carboxylic acid (PubChem CID 58435667) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-amino-2,5-dimethylimidazole-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-2,5-dimethylimidazole-1-carboxylic acid
PubChem CID58435667
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-amino-2,5-dimethylimidazole-1-carboxylic acid
SMILESCc1nc(N)c(C)n1C(=O)O
InChIInChI=1S/C6H9N3O2/c1-3-5(7)8-4(2)9(3)6(10)11/h7H2,1-2H3,(H,10,11)
InChIKeyAFGHFADBYNFERK-UHFFFAOYSA-N
XLogP0.61
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-dimethylimidazole-1-carboxylic acid?
The IUPAC name of 4-amino-2,5-dimethylimidazole-1-carboxylic acid (CID 58435667) is 4-amino-2,5-dimethylimidazole-1-carboxylic acid.
What is the SMILES notation for 4-amino-2,5-dimethylimidazole-1-carboxylic acid?
The canonical SMILES for 4-amino-2,5-dimethylimidazole-1-carboxylic acid is Cc1nc(N)c(C)n1C(=O)O.
What is the InChIKey of 4-amino-2,5-dimethylimidazole-1-carboxylic acid?
The InChIKey is AFGHFADBYNFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-5(7)8-4(2)9(3)6(10)11/h7H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-2,5-dimethylimidazole-1-carboxylic acid?
4-amino-2,5-dimethylimidazole-1-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-dimethylimidazole-1-carboxylic acid is sourced from PubChem (CID 58435667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).