1,3,5,7-tetramethyl-4H-purine-2,6-dione

C9H14N4O2 — CID 151924081

IUPAC1,3,5,7-tetramethyl-4H-purine-2,6-dione
SMILESCN1C(=O)N(C)C2N=CN(C)C2(C)C1=O
InChIInChI=1S/C9H14N4O2/c1-9-6(10-5-11(9)2)12(3)8(15)13(4)7(9)14/h5-6H,1-4H3
InChIKeySXJQXQBBYQTNBM-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.43
Rot. Bonds

About 1,3,5,7-tetramethyl-4H-purine-2,6-dione

1,3,5,7-tetramethyl-4H-purine-2,6-dione (PubChem CID 151924081) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-4H-purine-2,6-dione.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-4H-purine-2,6-dione
PubChem CID151924081
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1,3,5,7-tetramethyl-4H-purine-2,6-dione
SMILESCN1C(=O)N(C)C2N=CN(C)C2(C)C1=O
InChIInChI=1S/C9H14N4O2/c1-9-6(10-5-11(9)2)12(3)8(15)13(4)7(9)14/h5-6H,1-4H3
InChIKeySXJQXQBBYQTNBM-UHFFFAOYSA-N
XLogP-0.43
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-4H-purine-2,6-dione?
The IUPAC name of 1,3,5,7-tetramethyl-4H-purine-2,6-dione (CID 151924081) is 1,3,5,7-tetramethyl-4H-purine-2,6-dione.
What is the SMILES notation for 1,3,5,7-tetramethyl-4H-purine-2,6-dione?
The canonical SMILES for 1,3,5,7-tetramethyl-4H-purine-2,6-dione is CN1C(=O)N(C)C2N=CN(C)C2(C)C1=O.
What is the InChIKey of 1,3,5,7-tetramethyl-4H-purine-2,6-dione?
The InChIKey is SXJQXQBBYQTNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9-6(10-5-11(9)2)12(3)8(15)13(4)7(9)14/h5-6H,1-4H3.
What are the key properties of 1,3,5,7-tetramethyl-4H-purine-2,6-dione?
1,3,5,7-tetramethyl-4H-purine-2,6-dione has a molecular weight of 210.24 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-4H-purine-2,6-dione is sourced from PubChem (CID 151924081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).