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

C9H12N6OS — CID 103332330

IUPAC3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESNNc1nc(NCCC(N)=O)c2ccsc2n1
InChIInChI=1S/C9H12N6OS/c10-6(16)1-3-12-7-5-2-4-17-8(5)14-9(13-7)15-11/h2,4H,1,3,11H2,(H2,10,16)(H2,12,13,14,15)
InChIKeyIUNLAAAEPXUIQX-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.26
Rot. Bonds5

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

3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 103332330) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID103332330
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESNNc1nc(NCCC(N)=O)c2ccsc2n1
InChIInChI=1S/C9H12N6OS/c10-6(16)1-3-12-7-5-2-4-17-8(5)14-9(13-7)15-11/h2,4H,1,3,11H2,(H2,10,16)(H2,12,13,14,15)
InChIKeyIUNLAAAEPXUIQX-UHFFFAOYSA-N
XLogP0.26
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.26
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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Related Compounds

3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755
2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103332450
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 103332330) is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is NNc1nc(NCCC(N)=O)c2ccsc2n1.
What is the InChIKey of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is IUNLAAAEPXUIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c10-6(16)1-3-12-7-5-2-4-17-8(5)14-9(13-7)15-11/h2,4H,1,3,11H2,(H2,10,16)(H2,12,13,14,15).
What are the key properties of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 252.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 103332330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).