9-cyclohexyl-3,7-dihydropurine-2,8-dione

C11H14N4O2 — CID 22923569

IUPAC9-cyclohexyl-3,7-dihydropurine-2,8-dione
SMILESO=c1ncc2[nH]c(=O)n(C3CCCCC3)c2[nH]1
InChIInChI=1S/C11H14N4O2/c16-10-12-6-8-9(14-10)15(11(17)13-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H,12,14,16)
InChIKeyFNKFZBMXYBCKGO-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.92
Rot. Bonds1

About 9-cyclohexyl-3,7-dihydropurine-2,8-dione

9-cyclohexyl-3,7-dihydropurine-2,8-dione (PubChem CID 22923569) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 9-cyclohexyl-3,7-dihydropurine-2,8-dione.

Molecular Properties

Compound Name9-cyclohexyl-3,7-dihydropurine-2,8-dione
PubChem CID22923569
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name9-cyclohexyl-3,7-dihydropurine-2,8-dione
SMILESO=c1ncc2[nH]c(=O)n(C3CCCCC3)c2[nH]1
InChIInChI=1S/C11H14N4O2/c16-10-12-6-8-9(14-10)15(11(17)13-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H,12,14,16)
InChIKeyFNKFZBMXYBCKGO-UHFFFAOYSA-N
XLogP0.92
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-3,7-dihydropurine-2,8-dione?
The IUPAC name of 9-cyclohexyl-3,7-dihydropurine-2,8-dione (CID 22923569) is 9-cyclohexyl-3,7-dihydropurine-2,8-dione.
What is the SMILES notation for 9-cyclohexyl-3,7-dihydropurine-2,8-dione?
The canonical SMILES for 9-cyclohexyl-3,7-dihydropurine-2,8-dione is O=c1ncc2[nH]c(=O)n(C3CCCCC3)c2[nH]1.
What is the InChIKey of 9-cyclohexyl-3,7-dihydropurine-2,8-dione?
The InChIKey is FNKFZBMXYBCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10-12-6-8-9(14-10)15(11(17)13-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H,12,14,16).
What are the key properties of 9-cyclohexyl-3,7-dihydropurine-2,8-dione?
9-cyclohexyl-3,7-dihydropurine-2,8-dione has a molecular weight of 234.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-3,7-dihydropurine-2,8-dione is sourced from PubChem (CID 22923569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).