8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione

C10H13N5O2 — CID 114402349

IUPAC8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione
SMILESNC1CCCC1c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H13N5O2/c11-5-3-1-2-4(5)7-12-6-8(13-7)14-10(17)15-9(6)16/h4-5H,1-3,11H2,(H3,12,13,14,15,16,17)
InChIKeyGPQKHUFYDFYXRO-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.47
Rot. Bonds1

About 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione

8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione (PubChem CID 114402349) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione
PubChem CID114402349
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione
SMILESNC1CCCC1c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H13N5O2/c11-5-3-1-2-4(5)7-12-6-8(13-7)14-10(17)15-9(6)16/h4-5H,1-3,11H2,(H3,12,13,14,15,16,17)
InChIKeyGPQKHUFYDFYXRO-UHFFFAOYSA-N
XLogP-0.47
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-(2-aminocyclopentyl)-3,7-dihydropurine-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

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione (CID 114402349) is 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione is NC1CCCC1c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is GPQKHUFYDFYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-5-3-1-2-4(5)7-12-6-8(13-7)14-10(17)15-9(6)16/h4-5H,1-3,11H2,(H3,12,13,14,15,16,17).
What are the key properties of 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione?
8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 235.25 g/mol, XLogP of -0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 114402349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).