4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one

C9H11N7O — CID 168700963

IUPAC4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
SMILESNc1nc(N2CC(N)CC2=O)c2[nH]cnc2n1
InChIInChI=1S/C9H11N7O/c10-4-1-5(17)16(2-4)8-6-7(13-3-12-6)14-9(11)15-8/h3-4H,1-2,10H2,(H3,11,12,13,14,15)
InChIKeyXERRMOYINHPURT-UHFFFAOYSA-N
MW233.23 g/mol
LogP-1.00
Rot. Bonds1

About 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one

4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one (PubChem CID 168700963) has the molecular formula C9H11N7O and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
PubChem CID168700963
Molecular FormulaC9H11N7O
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
SMILESNc1nc(N2CC(N)CC2=O)c2[nH]cnc2n1
InChIInChI=1S/C9H11N7O/c10-4-1-5(17)16(2-4)8-6-7(13-3-12-6)14-9(11)15-8/h3-4H,1-2,10H2,(H3,11,12,13,14,15)
InChIKeyXERRMOYINHPURT-UHFFFAOYSA-N
XLogP-1.00
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-7H-purin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509263
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
1-(2-chloro-7H-purin-6-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671942
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
1-(2-chloro-7H-purin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692060
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
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
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one (CID 168700963) is 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one is Nc1nc(N2CC(N)CC2=O)c2[nH]cnc2n1.
What is the InChIKey of 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one?
The InChIKey is XERRMOYINHPURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O/c10-4-1-5(17)16(2-4)8-6-7(13-3-12-6)14-9(11)15-8/h3-4H,1-2,10H2,(H3,11,12,13,14,15).
What are the key properties of 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one?
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one has a molecular weight of 233.23 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 168700963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).