8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione

C12H16N4O2 — CID 152743146

IUPAC8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N=C(C3CCCC3)N=C2N(C)C1=O
InChIInChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3
InChIKeyFXUOOOTUSVDUIR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.88
Rot. Bonds1

About 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione

8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione (PubChem CID 152743146) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione.

Molecular Properties

Compound Name8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione
PubChem CID152743146
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N=C(C3CCCC3)N=C2N(C)C1=O
InChIInChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3
InChIKeyFXUOOOTUSVDUIR-UHFFFAOYSA-N
XLogP0.88
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

PD-116948;PD116948;Cpx;dpcpx
CID 44483362
8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione
CID 24870787
8-cyclopentyl-1,3-dimethyl-4H-purine-2,6-dione
CID 24870830
8-cyclopentyl-1,3-dipropyl-5H-purine-2,6-dione
CID 44820639
8-cyclopentyl-1-iodo-3-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 141904621
8-Cyclopentyl-1-propyl-3,4,5,7-tetrahydropurine-2,6-dione
CID 9816743
8-cyclopentyl-7-methyl-1-propyl-4,5-dihydro-3H-purine-2,6-dione
CID 9860454
8-Cyclohexyl-7-ethyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 9922110
8-Cyclohexyl-7-(cyclopropylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 9923006
8-Cyclopentyl-1-propylpurine-2,6-dione
CID 23815461
8-Cyclopentyl-1,3-dimethylpurin-3-ium-2,6-dione
CID 44483358
1-hexyl-3,7-dimethyl-5H-purin-7-ium-2,6-dione
CID 71650871

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione?
The IUPAC name of 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione (CID 152743146) is 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione.
What is the SMILES notation for 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione?
The canonical SMILES for 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione is CN1C(=O)C2N=C(C3CCCC3)N=C2N(C)C1=O.
What is the InChIKey of 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione?
The InChIKey is FXUOOOTUSVDUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione?
8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione has a molecular weight of 248.29 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-1,3-dimethyl-5H-purine-2,6-dione is sourced from PubChem (CID 152743146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).