1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one

C11H14N6OS — CID 55078320

IUPAC1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2nc(NN)c3ccsc3n2)C1=O
InChIInChI=1S/C11H14N6OS/c1-16-3-4-17(11(16)18)6-8-13-9(15-12)7-2-5-19-10(7)14-8/h2,5H,3-4,6,12H2,1H3,(H,13,14,15)
InChIKeyQBFONVMIZIQZOT-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.84
Rot. Bonds3

About 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one

1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one (PubChem CID 55078320) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one
PubChem CID55078320
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2nc(NN)c3ccsc3n2)C1=O
InChIInChI=1S/C11H14N6OS/c1-16-3-4-17(11(16)18)6-8-13-9(15-12)7-2-5-19-10(7)14-8/h2,5H,3-4,6,12H2,1H3,(H,13,14,15)
InChIKeyQBFONVMIZIQZOT-UHFFFAOYSA-N
XLogP0.84
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
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 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one (CID 55078320) is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2nc(NN)c3ccsc3n2)C1=O.
What is the InChIKey of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is QBFONVMIZIQZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-16-3-4-17(11(16)18)6-8-13-9(15-12)7-2-5-19-10(7)14-8/h2,5H,3-4,6,12H2,1H3,(H,13,14,15).
What are the key properties of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one?
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 278.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 55078320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).