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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-3H-purine-2,6-dione
CID 57025497
9-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
CID 57169553
9-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
CID 171699514
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;dihydrate
CID 22508218
9-tert-butyl-3H-purine-2,6-dione
CID 58320174
9-(1-bicyclo[2.2.2]octanyl)-3H-purine-2,6-dione
CID 91194302
9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-2,6-dione
CID 66649260
9-(3-methylbutyl)-3H-purine-2,6-dione
CID 57008768
8-ethyl-1H-pteridine-2,4,7-trione
CID 110171590
[5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 25245836
butyl N-(2,6-dioxo-3H-purine-9-carbonyl)carbamate
CID 142652232
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;2-hydroxyethyl(trimethyl)azanium
CID 174274161

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).