1,3,4-trimethoxypurine-2,6-dione

C8H10N4O5 — CID 151385477

IUPAC1,3,4-trimethoxypurine-2,6-dione
SMILESCON1C(=O)C2=NC=NC2(OC)N(OC)C1=O
InChIInChI=1S/C8H10N4O5/c1-15-8-5(9-4-10-8)6(13)11(16-2)7(14)12(8)17-3/h4H,1-3H3
InChIKeyOTHRHRSIGVPUFH-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.84
Rot. Bonds3

About 1,3,4-trimethoxypurine-2,6-dione

1,3,4-trimethoxypurine-2,6-dione (PubChem CID 151385477) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is 1,3,4-trimethoxypurine-2,6-dione.

Molecular Properties

Compound Name1,3,4-trimethoxypurine-2,6-dione
PubChem CID151385477
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name1,3,4-trimethoxypurine-2,6-dione
SMILESCON1C(=O)C2=NC=NC2(OC)N(OC)C1=O
InChIInChI=1S/C8H10N4O5/c1-15-8-5(9-4-10-8)6(13)11(16-2)7(14)12(8)17-3/h4H,1-3H3
InChIKeyOTHRHRSIGVPUFH-UHFFFAOYSA-N
XLogP-0.84
TPSA93.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethoxypurine-2,6-dione?
The IUPAC name of 1,3,4-trimethoxypurine-2,6-dione (CID 151385477) is 1,3,4-trimethoxypurine-2,6-dione.
What is the SMILES notation for 1,3,4-trimethoxypurine-2,6-dione?
The canonical SMILES for 1,3,4-trimethoxypurine-2,6-dione is CON1C(=O)C2=NC=NC2(OC)N(OC)C1=O.
What is the InChIKey of 1,3,4-trimethoxypurine-2,6-dione?
The InChIKey is OTHRHRSIGVPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c1-15-8-5(9-4-10-8)6(13)11(16-2)7(14)12(8)17-3/h4H,1-3H3.
What are the key properties of 1,3,4-trimethoxypurine-2,6-dione?
1,3,4-trimethoxypurine-2,6-dione has a molecular weight of 242.19 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethoxypurine-2,6-dione is sourced from PubChem (CID 151385477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).