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

C11H14N6OS — CID 62247064

IUPAC4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one
SMILESNNc1nc(CN2CCNC(=O)C2)nc2sccc12
InChIInChI=1S/C11H14N6OS/c12-16-10-7-1-4-19-11(7)15-8(14-10)5-17-3-2-13-9(18)6-17/h1,4H,2-3,5-6,12H2,(H,13,18)(H,14,15,16)
InChIKeyVHPADEMEDBMKLX-UHFFFAOYSA-N
MW278.34 g/mol
LogP-0.09
Rot. Bonds3

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

4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one (PubChem CID 62247064) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one
PubChem CID62247064
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one
SMILESNNc1nc(CN2CCNC(=O)C2)nc2sccc12
InChIInChI=1S/C11H14N6OS/c12-16-10-7-1-4-19-11(7)15-8(14-10)5-17-3-2-13-9(18)6-17/h1,4H,2-3,5-6,12H2,(H,13,18)(H,14,15,16)
InChIKeyVHPADEMEDBMKLX-UHFFFAOYSA-N
XLogP-0.09
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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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Related Compounds

1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 62245015
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one
CID 55078320
[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
[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244451
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79932781
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
CID 114217439
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512790
4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
CID 63606336
[2-[(3,3-dimethylmorpholin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245346
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63025803
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one (CID 62247064) is 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one is NNc1nc(CN2CCNC(=O)C2)nc2sccc12.
What is the InChIKey of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one?
The InChIKey is VHPADEMEDBMKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c12-16-10-7-1-4-19-11(7)15-8(14-10)5-17-3-2-13-9(18)6-17/h1,4H,2-3,5-6,12H2,(H,13,18)(H,14,15,16).
What are the key properties of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one?
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one has a molecular weight of 278.34 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 62247064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).