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

C14H19N5OS — CID 104512790

IUPAC1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2nc(NN)c3ccsc3n2)C1
InChIInChI=1S/C14H19N5OS/c1-8(2)9-5-12(20)19(6-9)7-11-16-13(18-15)10-3-4-21-14(10)17-11/h3-4,8-9H,5-7,15H2,1-2H3,(H,16,17,18)
InChIKeySXMTYQRNCBYDOH-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.98
Rot. Bonds4

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

1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104512790) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104512790
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2nc(NN)c3ccsc3n2)C1
InChIInChI=1S/C14H19N5OS/c1-8(2)9-5-12(20)19(6-9)7-11-16-13(18-15)10-3-4-21-14(10)17-11/h3-4,8-9H,5-7,15H2,1-2H3,(H,16,17,18)
InChIKeySXMTYQRNCBYDOH-UHFFFAOYSA-N
XLogP1.98
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.98
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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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-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114596650
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
CID 114217439
1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512787
3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 62195057
[2-(2,3-dihydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244233
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one
CID 62247064
1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 103061637
[2-[(3,5-diethylpyrazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82699155
[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244451

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one (CID 104512790) is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(Cc2nc(NN)c3ccsc3n2)C1.
What is the InChIKey of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is SXMTYQRNCBYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8(2)9-5-12(20)19(6-9)7-11-16-13(18-15)10-3-4-21-14(10)17-11/h3-4,8-9H,5-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 305.41 g/mol, XLogP of 1.98, 4 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]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104512790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).