1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione

C11H11N5O2S — CID 62245015

IUPAC1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
SMILESNNc1nc(CN2C(=O)CCC2=O)nc2sccc12
InChIInChI=1S/C11H11N5O2S/c12-15-10-6-3-4-19-11(6)14-7(13-10)5-16-8(17)1-2-9(16)18/h3-4H,1-2,5,12H2,(H,13,14,15)
InChIKeyMZSULEADJANQIF-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.63
Rot. Bonds3

About 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione

1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 62245015) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID62245015
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
SMILESNNc1nc(CN2C(=O)CCC2=O)nc2sccc12
InChIInChI=1S/C11H11N5O2S/c12-15-10-6-3-4-19-11(6)14-7(13-10)5-16-8(17)1-2-9(16)18/h3-4H,1-2,5,12H2,(H,13,14,15)
InChIKeyMZSULEADJANQIF-UHFFFAOYSA-N
XLogP0.63
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one
CID 55078320
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512790
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one
CID 62247064
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
CID 114217439
[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244451
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
[2-(2,3-dihydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244233
3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 62195057
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114596650
[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65281811
[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63635107

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione (CID 62245015) is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione is NNc1nc(CN2C(=O)CCC2=O)nc2sccc12.
What is the InChIKey of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is MZSULEADJANQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-15-10-6-3-4-19-11(6)14-7(13-10)5-16-8(17)1-2-9(16)18/h3-4H,1-2,5,12H2,(H,13,14,15).
What are the key properties of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione?
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 277.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62245015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).