4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one

C10H12N6OS — CID 106198866

IUPAC4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)c2ccsc2n1
InChIInChI=1S/C10H12N6OS/c11-16-10-14-8(6-1-2-18-9(6)15-10)13-5-3-7(17)12-4-5/h1-2,5H,3-4,11H2,(H,12,17)(H2,13,14,15,16)
InChIKeyWAQRWNFUWRDMSK-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.28
Rot. Bonds3

About 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106198866) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106198866
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)c2ccsc2n1
InChIInChI=1S/C10H12N6OS/c11-16-10-14-8(6-1-2-18-9(6)15-10)13-5-3-7(17)12-4-5/h1-2,5H,3-4,11H2,(H,12,17)(H2,13,14,15,16)
InChIKeyWAQRWNFUWRDMSK-UHFFFAOYSA-N
XLogP0.28
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106198866) is 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one is NNc1nc(NC2CNC(=O)C2)c2ccsc2n1.
What is the InChIKey of 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is WAQRWNFUWRDMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c11-16-10-14-8(6-1-2-18-9(6)15-10)13-5-3-7(17)12-4-5/h1-2,5H,3-4,11H2,(H,12,17)(H2,13,14,15,16).
What are the key properties of 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 264.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).