5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid

C8H14N4O2 — CID 82376144

IUPAC5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
SMILESCCn1c(N(C)C)nc(N)c1C(=O)O
InChIInChI=1S/C8H14N4O2/c1-4-12-5(7(13)14)6(9)10-8(12)11(2)3/h4,9H2,1-3H3,(H,13,14)
InChIKeySOKITCMGDYTXKA-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.25
Rot. Bonds3

About 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid

5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid (PubChem CID 82376144) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
PubChem CID82376144
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
SMILESCCn1c(N(C)C)nc(N)c1C(=O)O
InChIInChI=1S/C8H14N4O2/c1-4-12-5(7(13)14)6(9)10-8(12)11(2)3/h4,9H2,1-3H3,(H,13,14)
InChIKeySOKITCMGDYTXKA-UHFFFAOYSA-N
XLogP0.25
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid (CID 82376144) is 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid is CCn1c(N(C)C)nc(N)c1C(=O)O.
What is the InChIKey of 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
The InChIKey is SOKITCMGDYTXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-12-5(7(13)14)6(9)10-8(12)11(2)3/h4,9H2,1-3H3,(H,13,14).
What are the key properties of 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid has a molecular weight of 198.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid is sourced from PubChem (CID 82376144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).