8-ethoxy-1,3,7-trimethylpurine-2,6-dione

C10H14N4O3 — CID 11347

IUPAC8-ethoxy-1,3,7-trimethylpurine-2,6-dione
SMILESCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3
InChIKeyLCYXNYNRVOBSHK-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.63
Rot. Bonds2

About 8-ethoxy-1,3,7-trimethylpurine-2,6-dione

8-ethoxy-1,3,7-trimethylpurine-2,6-dione (PubChem CID 11347) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-ethoxy-1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-ethoxy-1,3,7-trimethylpurine-2,6-dione
PubChem CID11347
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name8-ethoxy-1,3,7-trimethylpurine-2,6-dione
SMILESCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3
InChIKeyLCYXNYNRVOBSHK-UHFFFAOYSA-N
XLogP-0.63
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of 8-ethoxy-1,3,7-trimethylpurine-2,6-dione (CID 11347) is 8-ethoxy-1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for 8-ethoxy-1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for 8-ethoxy-1,3,7-trimethylpurine-2,6-dione is CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C.
What is the InChIKey of 8-ethoxy-1,3,7-trimethylpurine-2,6-dione?
The InChIKey is LCYXNYNRVOBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3.
What are the key properties of 8-ethoxy-1,3,7-trimethylpurine-2,6-dione?
8-ethoxy-1,3,7-trimethylpurine-2,6-dione has a molecular weight of 238.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 11347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).