9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione

C16H24N4O2 — CID 67686995

IUPAC9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione
SMILESCCCC1CCC(CCC)C1n1cnc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C16H24N4O2/c1-3-5-10-7-8-11(6-4-2)13(10)20-9-17-12-14(20)18-16(22)19-15(12)21/h9-11,13H,3-8H2,1-2H3,(H2,18,19,21,22)
InChIKeyDAJYOQURLFVVDR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.58
Rot. Bonds5

About 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione

9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione (PubChem CID 67686995) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione.

Molecular Properties

Compound Name9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione
PubChem CID67686995
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione
SMILESCCCC1CCC(CCC)C1n1cnc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C16H24N4O2/c1-3-5-10-7-8-11(6-4-2)13(10)20-9-17-12-14(20)18-16(22)19-15(12)21/h9-11,13H,3-8H2,1-2H3,(H2,18,19,21,22)
InChIKeyDAJYOQURLFVVDR-UHFFFAOYSA-N
XLogP2.58
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione?
The IUPAC name of 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione (CID 67686995) is 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione.
What is the SMILES notation for 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione?
The canonical SMILES for 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione is CCCC1CCC(CCC)C1n1cnc2c(=O)[nH]c(=O)[nH]c21.
What is the InChIKey of 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione?
The InChIKey is DAJYOQURLFVVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-5-10-7-8-11(6-4-2)13(10)20-9-17-12-14(20)18-16(22)19-15(12)21/h9-11,13H,3-8H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione?
9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione has a molecular weight of 304.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione is sourced from PubChem (CID 67686995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).