1,3,4,8-tetramethylpurine-2,6-dione

C9H12N4O2 — CID 67505348

IUPAC1,3,4,8-tetramethylpurine-2,6-dione
SMILESCC1=NC2(C)C(=N1)C(=O)N(C)C(=O)N2C
InChIInChI=1S/C9H12N4O2/c1-5-10-6-7(14)12(3)8(15)13(4)9(6,2)11-5/h1-4H3
InChIKeyWIQFGKRTJPLYOE-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.10
Rot. Bonds

About 1,3,4,8-tetramethylpurine-2,6-dione

1,3,4,8-tetramethylpurine-2,6-dione (PubChem CID 67505348) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1,3,4,8-tetramethylpurine-2,6-dione.

Molecular Properties

Compound Name1,3,4,8-tetramethylpurine-2,6-dione
PubChem CID67505348
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1,3,4,8-tetramethylpurine-2,6-dione
SMILESCC1=NC2(C)C(=N1)C(=O)N(C)C(=O)N2C
InChIInChI=1S/C9H12N4O2/c1-5-10-6-7(14)12(3)8(15)13(4)9(6,2)11-5/h1-4H3
InChIKeyWIQFGKRTJPLYOE-UHFFFAOYSA-N
XLogP0.10
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,8-tetramethylpurine-2,6-dione?
The IUPAC name of 1,3,4,8-tetramethylpurine-2,6-dione (CID 67505348) is 1,3,4,8-tetramethylpurine-2,6-dione.
What is the SMILES notation for 1,3,4,8-tetramethylpurine-2,6-dione?
The canonical SMILES for 1,3,4,8-tetramethylpurine-2,6-dione is CC1=NC2(C)C(=N1)C(=O)N(C)C(=O)N2C.
What is the InChIKey of 1,3,4,8-tetramethylpurine-2,6-dione?
The InChIKey is WIQFGKRTJPLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-10-6-7(14)12(3)8(15)13(4)9(6,2)11-5/h1-4H3.
What are the key properties of 1,3,4,8-tetramethylpurine-2,6-dione?
1,3,4,8-tetramethylpurine-2,6-dione has a molecular weight of 208.22 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,8-tetramethylpurine-2,6-dione is sourced from PubChem (CID 67505348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).