3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one

C11H11N5O5 — CID 71434572

IUPAC3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one
SMILESCC(=O)N1c2nc3c(ncn3C(C)=O)c(=O)n2C(O)C1O
InChIInChI=1S/C11H11N5O5/c1-4(17)14-3-12-6-7(14)13-11-15(5(2)18)9(20)10(21)16(11)8(6)19/h3,9-10,20-21H,1-2H3
InChIKeyGOKIGDBPZZUKQF-UHFFFAOYSA-N
MW293.24 g/mol
LogP-1.57
Rot. Bonds

About 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one

3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one (PubChem CID 71434572) has the molecular formula C11H11N5O5 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one
PubChem CID71434572
Molecular FormulaC11H11N5O5
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC Name3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one
SMILESCC(=O)N1c2nc3c(ncn3C(C)=O)c(=O)n2C(O)C1O
InChIInChI=1S/C11H11N5O5/c1-4(17)14-3-12-6-7(14)13-11-15(5(2)18)9(20)10(21)16(11)8(6)19/h3,9-10,20-21H,1-2H3
InChIKeyGOKIGDBPZZUKQF-UHFFFAOYSA-N
XLogP-1.57
TPSA130.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(9-acetyl-6-aminopurin-2-yl)acetamide
CID 11128221
1-(6-chloropurin-9-yl)ethanone
CID 14642058
1-(6-aminopurin-9-yl)ethanone
CID 56662952
9-acetyl-1,3-dimethylpurine-2,6-dione
CID 91727362
(6S,8R)-8-hydroxy-6-methyl-3-trityl-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
CID 136744464
(6S,8S)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
CID 135801427
1,2,9-trimethylpurin-6-one
CID 59886903
1-[6-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]purin-9-yl]ethanone
CID 155782156
1-iodo-2,9-dimethylpurin-6-one
CID 142107927
2-amino-9-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 118885108
1-(4-amino-2-methylimidazol-1-yl)ethanone
CID 55285933
(6S,8R)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenyl-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
CID 136778020

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one?
The IUPAC name of 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one (CID 71434572) is 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one.
What is the SMILES notation for 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one?
The canonical SMILES for 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one is CC(=O)N1c2nc3c(ncn3C(C)=O)c(=O)n2C(O)C1O.
What is the InChIKey of 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one?
The InChIKey is GOKIGDBPZZUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5/c1-4(17)14-3-12-6-7(14)13-11-15(5(2)18)9(20)10(21)16(11)8(6)19/h3,9-10,20-21H,1-2H3.
What are the key properties of 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one?
3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one has a molecular weight of 293.24 g/mol, XLogP of -1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-6,7-dihydroxy-6,7-dihydroimidazo[1,2-a]purin-9-one is sourced from PubChem (CID 71434572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).