4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione

C9H9N7O2 — CID 114785546

IUPAC4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
SMILESNc1nc(N2CC(=O)NC(=O)C2)c2[nH]cnc2n1
InChIInChI=1S/C9H9N7O2/c10-9-14-7-6(11-3-12-7)8(15-9)16-1-4(17)13-5(18)2-16/h3H,1-2H2,(H,13,17,18)(H3,10,11,12,14,15)
InChIKeyLTVISKPLCXNJOK-UHFFFAOYSA-N
MW247.22 g/mol
LogP-1.60
Rot. Bonds1

About 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione

4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione (PubChem CID 114785546) has the molecular formula C9H9N7O2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
PubChem CID114785546
Molecular FormulaC9H9N7O2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
SMILESNc1nc(N2CC(=O)NC(=O)C2)c2[nH]cnc2n1
InChIInChI=1S/C9H9N7O2/c10-9-14-7-6(11-3-12-7)8(15-9)16-1-4(17)13-5(18)2-16/h3H,1-2H2,(H,13,17,18)(H3,10,11,12,14,15)
InChIKeyLTVISKPLCXNJOK-UHFFFAOYSA-N
XLogP-1.60
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-phenylmethanone
CID 39046359

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione?
The IUPAC name of 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione (CID 114785546) is 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione is Nc1nc(N2CC(=O)NC(=O)C2)c2[nH]cnc2n1.
What is the InChIKey of 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione?
The InChIKey is LTVISKPLCXNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O2/c10-9-14-7-6(11-3-12-7)8(15-9)16-1-4(17)13-5(18)2-16/h3H,1-2H2,(H,13,17,18)(H3,10,11,12,14,15).
What are the key properties of 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione?
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione has a molecular weight of 247.22 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione is sourced from PubChem (CID 114785546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).