(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

C9H10N4O3 — CID 840604

IUPAC(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESC[C@H]1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1
InChIInChI=1S/C9H10N4O3/c1-4-3-13-5-6(10-9(13)16-4)12(2)8(15)11-7(5)14/h4H,3H2,1-2H3,(H,11,14,15)/t4-/m0/s1
InChIKeyJUEKSMZOSLCKES-BYPYZUCNSA-N
MW222.20 g/mol
LogP-0.80
Rot. Bonds

About (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 840604) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID840604
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESC[C@H]1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1
InChIInChI=1S/C9H10N4O3/c1-4-3-13-5-6(10-9(13)16-4)12(2)8(15)11-7(5)14/h4H,3H2,1-2H3,(H,11,14,15)/t4-/m0/s1
InChIKeyJUEKSMZOSLCKES-BYPYZUCNSA-N
XLogP-0.80
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione with MolForge

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Related Compounds

(7S)-7-[(4-chlorophenoxy)methyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 839585
3,9-dimethyl-1,2,3,4-tetrahydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 82018756
(7S)-7-[(3,4-dimethylphenoxy)methyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 40500194
1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3163184
(7R)-1,7-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 941915
(7S)-9-(4-hydroxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 42589800
(7S)-9-(4-chlorophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 1402504
(7S)-9-(4-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 943195
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
CID 28874864
7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 40692634
8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methyl-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione
CID 25338180

Frequently Asked Questions

What is the IUPAC name of (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione (CID 840604) is (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione is C[C@H]1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1.
What is the InChIKey of (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is JUEKSMZOSLCKES-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-4-3-13-5-6(10-9(13)16-4)12(2)8(15)11-7(5)14/h4H,3H2,1-2H3,(H,11,14,15)/t4-/m0/s1.
What are the key properties of (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 222.20 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 840604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).