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

C10H13N5OS — CID 103334408

IUPAC3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESNNc1nc(NC2CC(O)C2)c2ccsc2n1
InChIInChI=1S/C10H13N5OS/c11-15-10-13-8(12-5-3-6(16)4-5)7-1-2-17-9(7)14-10/h1-2,5-6,16H,3-4,11H2,(H2,12,13,14,15)
InChIKeyDORXBLCPHYZMLH-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.91
Rot. Bonds3

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

3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol (PubChem CID 103334408) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol
PubChem CID103334408
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESNNc1nc(NC2CC(O)C2)c2ccsc2n1
InChIInChI=1S/C10H13N5OS/c11-15-10-13-8(12-5-3-6(16)4-5)7-1-2-17-9(7)14-10/h1-2,5-6,16H,3-4,11H2,(H2,12,13,14,15)
InChIKeyDORXBLCPHYZMLH-UHFFFAOYSA-N
XLogP0.91
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.91
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

2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114118419
4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198866
2-hydrazinyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335505
3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138786
2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333485
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
CID 103335788
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700
2-hydrazinyl-N-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 103334460
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
N-(1-cyclopropylpropan-2-yl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol (CID 103334408) is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol is NNc1nc(NC2CC(O)C2)c2ccsc2n1.
What is the InChIKey of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol?
The InChIKey is DORXBLCPHYZMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-15-10-13-8(12-5-3-6(16)4-5)7-1-2-17-9(7)14-10/h1-2,5-6,16H,3-4,11H2,(H2,12,13,14,15).
What are the key properties of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol?
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol has a molecular weight of 251.31 g/mol, XLogP of 0.91, 3 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]cyclobutan-1-ol is sourced from PubChem (CID 103334408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).