6,8-dimethoxy-3,7-dimethylpurin-2-one

C9H12N4O3 — CID 45097833

IUPAC6,8-dimethoxy-3,7-dimethylpurin-2-one
SMILESCOc1nc(=O)n(C)c2nc(OC)n(C)c12
InChIInChI=1S/C9H12N4O3/c1-12-5-6(10-9(12)16-4)13(2)8(14)11-7(5)15-3/h1-4H3
InChIKeyANNNKMUSAVQMCY-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.32
Rot. Bonds2

About 6,8-dimethoxy-3,7-dimethylpurin-2-one

6,8-dimethoxy-3,7-dimethylpurin-2-one (PubChem CID 45097833) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6,8-dimethoxy-3,7-dimethylpurin-2-one.

Molecular Properties

Compound Name6,8-dimethoxy-3,7-dimethylpurin-2-one
PubChem CID45097833
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name6,8-dimethoxy-3,7-dimethylpurin-2-one
SMILESCOc1nc(=O)n(C)c2nc(OC)n(C)c12
InChIInChI=1S/C9H12N4O3/c1-12-5-6(10-9(12)16-4)13(2)8(14)11-7(5)15-3/h1-4H3
InChIKeyANNNKMUSAVQMCY-UHFFFAOYSA-N
XLogP-0.32
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3,7-dimethylpurin-2-one?
The IUPAC name of 6,8-dimethoxy-3,7-dimethylpurin-2-one (CID 45097833) is 6,8-dimethoxy-3,7-dimethylpurin-2-one.
What is the SMILES notation for 6,8-dimethoxy-3,7-dimethylpurin-2-one?
The canonical SMILES for 6,8-dimethoxy-3,7-dimethylpurin-2-one is COc1nc(=O)n(C)c2nc(OC)n(C)c12.
What is the InChIKey of 6,8-dimethoxy-3,7-dimethylpurin-2-one?
The InChIKey is ANNNKMUSAVQMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12-5-6(10-9(12)16-4)13(2)8(14)11-7(5)15-3/h1-4H3.
What are the key properties of 6,8-dimethoxy-3,7-dimethylpurin-2-one?
6,8-dimethoxy-3,7-dimethylpurin-2-one has a molecular weight of 224.22 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-3,7-dimethylpurin-2-one is sourced from PubChem (CID 45097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).