5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione

C9H9N5O2 — CID 71203766

IUPAC5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione
SMILESCCN1C(=O)Cn2c1nc1nc[nH]c1c2=O
InChIInChI=1S/C9H9N5O2/c1-2-13-5(15)3-14-8(16)6-7(11-4-10-6)12-9(13)14/h4H,2-3H2,1H3,(H,10,11)
InChIKeyDROYJSCUHGBIGE-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.51
Rot. Bonds1

About 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione

5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione (PubChem CID 71203766) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione.

Molecular Properties

Compound Name5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione
PubChem CID71203766
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione
SMILESCCN1C(=O)Cn2c1nc1nc[nH]c1c2=O
InChIInChI=1S/C9H9N5O2/c1-2-13-5(15)3-14-8(16)6-7(11-4-10-6)12-9(13)14/h4H,2-3H2,1H3,(H,10,11)
InChIKeyDROYJSCUHGBIGE-UHFFFAOYSA-N
XLogP-0.51
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-ethyl-7H-purin-6-one
CID 18378033
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
CID 14739438
2-ethylsulfanyl-1-phenyl-7H-purin-6-one
CID 4979591
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
2-amino-1-chloro-7H-purin-6-one;ethyl acetate
CID 87238739
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
CID 118455615
1-oxido-7H-purin-6-one
CID 71438070
2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
CID 126666255
2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one
CID 67632343

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione?
The IUPAC name of 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione (CID 71203766) is 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione.
What is the SMILES notation for 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione?
The canonical SMILES for 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione is CCN1C(=O)Cn2c1nc1nc[nH]c1c2=O.
What is the InChIKey of 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione?
The InChIKey is DROYJSCUHGBIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-2-13-5(15)3-14-8(16)6-7(11-4-10-6)12-9(13)14/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione?
5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione has a molecular weight of 219.20 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,7-dihydroimidazo[1,2-a]purine-6,9-dione is sourced from PubChem (CID 71203766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).