8-(3-methylbutyl)purine-2,6-dione

C10H12N4O2 — CID 24890138

IUPAC8-(3-methylbutyl)purine-2,6-dione
SMILESCC(C)CCC1=NC2=NC(=O)NC(=O)C2=N1
InChIInChI=1S/C10H12N4O2/c1-5(2)3-4-6-11-7-8(12-6)13-10(16)14-9(7)15/h5H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyGRSNPQFJLIAAAV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.92
Rot. Bonds3

About 8-(3-methylbutyl)purine-2,6-dione

8-(3-methylbutyl)purine-2,6-dione (PubChem CID 24890138) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 8-(3-methylbutyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(3-methylbutyl)purine-2,6-dione
PubChem CID24890138
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name8-(3-methylbutyl)purine-2,6-dione
SMILESCC(C)CCC1=NC2=NC(=O)NC(=O)C2=N1
InChIInChI=1S/C10H12N4O2/c1-5(2)3-4-6-11-7-8(12-6)13-10(16)14-9(7)15/h5H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyGRSNPQFJLIAAAV-UHFFFAOYSA-N
XLogP0.92
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-4-(2-methylpropyl)-3H-purine-2,6-dione
CID 54240471
8-Nonylpurine-2,6-dione
CID 68921287
8,8-di(propan-2-yl)-3H-purine-2,6-dione
CID 151167257

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutyl)purine-2,6-dione?
The IUPAC name of 8-(3-methylbutyl)purine-2,6-dione (CID 24890138) is 8-(3-methylbutyl)purine-2,6-dione.
What is the SMILES notation for 8-(3-methylbutyl)purine-2,6-dione?
The canonical SMILES for 8-(3-methylbutyl)purine-2,6-dione is CC(C)CCC1=NC2=NC(=O)NC(=O)C2=N1.
What is the InChIKey of 8-(3-methylbutyl)purine-2,6-dione?
The InChIKey is GRSNPQFJLIAAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5(2)3-4-6-11-7-8(12-6)13-10(16)14-9(7)15/h5H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 8-(3-methylbutyl)purine-2,6-dione?
8-(3-methylbutyl)purine-2,6-dione has a molecular weight of 220.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutyl)purine-2,6-dione is sourced from PubChem (CID 24890138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).