3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

C9H13N5OS — CID 103335379

IUPAC3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESNNc1nc(NCCCO)c2ccsc2n1
InChIInChI=1S/C9H13N5OS/c10-14-9-12-7(11-3-1-4-15)6-2-5-16-8(6)13-9/h2,5,15H,1,3-4,10H2,(H2,11,12,13,14)
InChIKeyDXWLIKRKBYCNKU-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.77
Rot. Bonds5

About 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 103335379) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID103335379
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESNNc1nc(NCCCO)c2ccsc2n1
InChIInChI=1S/C9H13N5OS/c10-14-9-12-7(11-3-1-4-15)6-2-5-16-8(6)13-9/h2,5,15H,1,3-4,10H2,(H2,11,12,13,14)
InChIKeyDXWLIKRKBYCNKU-UHFFFAOYSA-N
XLogP0.77
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103332450
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 114098440
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 103335379) is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is NNc1nc(NCCCO)c2ccsc2n1.
What is the InChIKey of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is DXWLIKRKBYCNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c10-14-9-12-7(11-3-1-4-15)6-2-5-16-8(6)13-9/h2,5,15H,1,3-4,10H2,(H2,11,12,13,14).
What are the key properties of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 239.30 g/mol, XLogP of 0.77, 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]propan-1-ol is sourced from PubChem (CID 103335379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).