8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione

C16H24N4O2 — CID 24870787

IUPAC8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione
SMILESCCCN1C(=O)C2=NC(C3CCCC3)=NC2N(CCC)C1=O
InChIInChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11,14H,3-10H2,1-2H3
InChIKeyHTNQYOBTICIJAU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.44
Rot. Bonds5

About 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione

8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione (PubChem CID 24870787) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione.

Molecular Properties

Compound Name8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione
PubChem CID24870787
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione
SMILESCCCN1C(=O)C2=NC(C3CCCC3)=NC2N(CCC)C1=O
InChIInChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11,14H,3-10H2,1-2H3
InChIKeyHTNQYOBTICIJAU-UHFFFAOYSA-N
XLogP2.44
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione?
The IUPAC name of 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione (CID 24870787) is 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione.
What is the SMILES notation for 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione?
The canonical SMILES for 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione is CCCN1C(=O)C2=NC(C3CCCC3)=NC2N(CCC)C1=O.
What is the InChIKey of 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione?
The InChIKey is HTNQYOBTICIJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione?
8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione has a molecular weight of 304.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-1,3-dipropyl-4H-purine-2,6-dione is sourced from PubChem (CID 24870787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).