3-ethenyl-1,9-dimethylpurine-2,6-dione

C9H10N4O2 — CID 163667469

IUPAC3-ethenyl-1,9-dimethylpurine-2,6-dione
SMILESC=Cn1c(=O)n(C)c(=O)c2ncn(C)c21
InChIInChI=1S/C9H10N4O2/c1-4-13-7-6(10-5-11(7)2)8(14)12(3)9(13)15/h4-5H,1H2,2-3H3
InChIKeyIZSNFTAWAWKGAL-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.47
Rot. Bonds1

About 3-ethenyl-1,9-dimethylpurine-2,6-dione

3-ethenyl-1,9-dimethylpurine-2,6-dione (PubChem CID 163667469) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-ethenyl-1,9-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name3-ethenyl-1,9-dimethylpurine-2,6-dione
PubChem CID163667469
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name3-ethenyl-1,9-dimethylpurine-2,6-dione
SMILESC=Cn1c(=O)n(C)c(=O)c2ncn(C)c21
InChIInChI=1S/C9H10N4O2/c1-4-13-7-6(10-5-11(7)2)8(14)12(3)9(13)15/h4-5H,1H2,2-3H3
InChIKeyIZSNFTAWAWKGAL-UHFFFAOYSA-N
XLogP-0.47
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,9-dimethylpurine-2,6-dione?
The IUPAC name of 3-ethenyl-1,9-dimethylpurine-2,6-dione (CID 163667469) is 3-ethenyl-1,9-dimethylpurine-2,6-dione.
What is the SMILES notation for 3-ethenyl-1,9-dimethylpurine-2,6-dione?
The canonical SMILES for 3-ethenyl-1,9-dimethylpurine-2,6-dione is C=Cn1c(=O)n(C)c(=O)c2ncn(C)c21.
What is the InChIKey of 3-ethenyl-1,9-dimethylpurine-2,6-dione?
The InChIKey is IZSNFTAWAWKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-4-13-7-6(10-5-11(7)2)8(14)12(3)9(13)15/h4-5H,1H2,2-3H3.
What are the key properties of 3-ethenyl-1,9-dimethylpurine-2,6-dione?
3-ethenyl-1,9-dimethylpurine-2,6-dione has a molecular weight of 206.20 g/mol, XLogP of -0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,9-dimethylpurine-2,6-dione is sourced from PubChem (CID 163667469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).