4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one

C8H12N6O — CID 106198877

IUPAC4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNNc1nccc(NC2CNC(=O)C2)n1
InChIInChI=1S/C8H12N6O/c9-14-8-10-2-1-6(13-8)12-5-3-7(15)11-4-5/h1-2,5H,3-4,9H2,(H,11,15)(H2,10,12,13,14)
InChIKeyALAZNYHMGHKAKL-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.94
Rot. Bonds3

About 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106198877) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106198877
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNNc1nccc(NC2CNC(=O)C2)n1
InChIInChI=1S/C8H12N6O/c9-14-8-10-2-1-6(13-8)12-5-3-7(15)11-4-5/h1-2,5H,3-4,9H2,(H,11,15)(H2,10,12,13,14)
InChIKeyALAZNYHMGHKAKL-UHFFFAOYSA-N
XLogP-0.94
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106198877) is 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one is NNc1nccc(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is ALAZNYHMGHKAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c9-14-8-10-2-1-6(13-8)12-5-3-7(15)11-4-5/h1-2,5H,3-4,9H2,(H,11,15)(H2,10,12,13,14).
What are the key properties of 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).