6-imino-1,3,9-trimethyl-7H-purine-2,8-dione

C8H11N5O2 — CID 162652377

IUPAC6-imino-1,3,9-trimethyl-7H-purine-2,8-dione
SMILES[H]/N=c1/c2[nH]c(=O)n(C)c2n(C)c(=O)n1C
InChIInChI=1S/C8H11N5O2/c1-11-5(9)4-6(13(3)8(11)15)12(2)7(14)10-4/h9H,1-3H3,(H,10,14)/b9-5-
InChIKeyZIXKNJXIKWYYLD-UITAMQMPSA-N
MW209.21 g/mol
LogP-1.62
Rot. Bonds

About 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione

6-imino-1,3,9-trimethyl-7H-purine-2,8-dione (PubChem CID 162652377) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione.

Molecular Properties

Compound Name6-imino-1,3,9-trimethyl-7H-purine-2,8-dione
PubChem CID162652377
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name6-imino-1,3,9-trimethyl-7H-purine-2,8-dione
SMILES[H]/N=c1/c2[nH]c(=O)n(C)c2n(C)c(=O)n1C
InChIInChI=1S/C8H11N5O2/c1-11-5(9)4-6(13(3)8(11)15)12(2)7(14)10-4/h9H,1-3H3,(H,10,14)/b9-5-
InChIKeyZIXKNJXIKWYYLD-UITAMQMPSA-N
XLogP-1.62
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione?
The IUPAC name of 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione (CID 162652377) is 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione.
What is the SMILES notation for 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione?
The canonical SMILES for 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione is [H]/N=c1/c2[nH]c(=O)n(C)c2n(C)c(=O)n1C.
What is the InChIKey of 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione?
The InChIKey is ZIXKNJXIKWYYLD-UITAMQMPSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-11-5(9)4-6(13(3)8(11)15)12(2)7(14)10-4/h9H,1-3H3,(H,10,14)/b9-5-.
What are the key properties of 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione?
6-imino-1,3,9-trimethyl-7H-purine-2,8-dione has a molecular weight of 209.21 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,3,9-trimethyl-7H-purine-2,8-dione is sourced from PubChem (CID 162652377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).