8-cyclopentyl-1-propylpurine-2,6-dione

C13H16N4O2 — CID 23815461

IUPAC8-cyclopentyl-1-propylpurine-2,6-dione
SMILESCCCN1C(=O)N=C2N=C(C3CCCC3)N=C2C1=O
InChIInChI=1S/C13H16N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyFRLGGMCBXGKCLG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.80
Rot. Bonds3

About 8-cyclopentyl-1-propylpurine-2,6-dione

8-cyclopentyl-1-propylpurine-2,6-dione (PubChem CID 23815461) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-cyclopentyl-1-propylpurine-2,6-dione.

Molecular Properties

Compound Name8-cyclopentyl-1-propylpurine-2,6-dione
PubChem CID23815461
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name8-cyclopentyl-1-propylpurine-2,6-dione
SMILESCCCN1C(=O)N=C2N=C(C3CCCC3)N=C2C1=O
InChIInChI=1S/C13H16N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyFRLGGMCBXGKCLG-UHFFFAOYSA-N
XLogP1.80
TPSA74.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-1-propylpurine-2,6-dione?
The IUPAC name of 8-cyclopentyl-1-propylpurine-2,6-dione (CID 23815461) is 8-cyclopentyl-1-propylpurine-2,6-dione.
What is the SMILES notation for 8-cyclopentyl-1-propylpurine-2,6-dione?
The canonical SMILES for 8-cyclopentyl-1-propylpurine-2,6-dione is CCCN1C(=O)N=C2N=C(C3CCCC3)N=C2C1=O.
What is the InChIKey of 8-cyclopentyl-1-propylpurine-2,6-dione?
The InChIKey is FRLGGMCBXGKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 8-cyclopentyl-1-propylpurine-2,6-dione?
8-cyclopentyl-1-propylpurine-2,6-dione has a molecular weight of 260.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-1-propylpurine-2,6-dione is sourced from PubChem (CID 23815461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).