(6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one

C8H9N5O3 — CID 136774430

IUPAC(6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one
SMILESC[C@]1(O)Nc2nc3nc[nH]c3c(=O)n2[C@@H]1O
InChIInChI=1S/C8H9N5O3/c1-8(16)6(15)13-5(14)3-4(10-2-9-3)11-7(13)12-8/h2,6,15-16H,1H3,(H,9,10)(H,11,12)/t6-,8-/m1/s1
InChIKeyMBBIRPAHCWAGOA-HTRCEHHLSA-N
MW223.19 g/mol
LogP-1.26
Rot. Bonds

About (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one

(6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one (PubChem CID 136774430) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name(6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one
PubChem CID136774430
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name(6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one
SMILESC[C@]1(O)Nc2nc3nc[nH]c3c(=O)n2[C@@H]1O
InChIInChI=1S/C8H9N5O3/c1-8(16)6(15)13-5(14)3-4(10-2-9-3)11-7(13)12-8/h2,6,15-16H,1H3,(H,9,10)(H,11,12)/t6-,8-/m1/s1
InChIKeyMBBIRPAHCWAGOA-HTRCEHHLSA-N
XLogP-1.26
TPSA116.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one with MolForge

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Related Compounds

(9-oxo-1,5,6,7-tetrahydroimidazo[1,2-a]purin-7-yl) acetate
CID 136845144
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
1-amino-2-(2-methylpropanoyl)-7H-purin-6-one
CID 151465206
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-ethyl-7H-purin-6-one
CID 18378033
(7R,8S,9S)-7,8-dihydroxy-7,9-dimethyl-8,10-dihydro-1H-pyrimido[2,1-f]purin-6-ium-9-carboxylate
CID 11323431
2-amino-1,7-dihydropurin-6-one;(2S)-3,4-bis(hydroxymethyl)-1-methylcyclobutane-1,2-diol
CID 142098441
2-amino-1-[(2R,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one
CID 22211123
1-oxido-7H-purin-6-one
CID 71438070
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
2-amino-1-(1-cyclopropyl-2,2-dihydroxyethyl)-7H-purin-6-one
CID 69471495

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
The IUPAC name of (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one (CID 136774430) is (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one.
What is the SMILES notation for (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
The canonical SMILES for (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one is C[C@]1(O)Nc2nc3nc[nH]c3c(=O)n2[C@@H]1O.
What is the InChIKey of (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
The InChIKey is MBBIRPAHCWAGOA-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H9N5O3/c1-8(16)6(15)13-5(14)3-4(10-2-9-3)11-7(13)12-8/h2,6,15-16H,1H3,(H,9,10)(H,11,12)/t6-,8-/m1/s1.
What are the key properties of (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
(6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one has a molecular weight of 223.19 g/mol, XLogP of -1.26, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6,7-dihydroxy-6-methyl-5,7-dihydro-1H-imidazo[1,2-a]purin-9-one is sourced from PubChem (CID 136774430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).