4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol

C12H17N5O2S — CID 103335448

IUPAC4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESNNc1nc(NCC2(O)CCOCC2)c2ccsc2n1
InChIInChI=1S/C12H17N5O2S/c13-17-11-15-9(8-1-6-20-10(8)16-11)14-7-12(18)2-4-19-5-3-12/h1,6,18H,2-5,7,13H2,(H2,14,15,16,17)
InChIKeyHEUSFDVNHBGVLT-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.93
Rot. Bonds4

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

4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 103335448) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID103335448
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESNNc1nc(NCC2(O)CCOCC2)c2ccsc2n1
InChIInChI=1S/C12H17N5O2S/c13-17-11-15-9(8-1-6-20-10(8)16-11)14-7-12(18)2-4-19-5-3-12/h1,6,18H,2-5,7,13H2,(H2,14,15,16,17)
InChIKeyHEUSFDVNHBGVLT-UHFFFAOYSA-N
XLogP0.93
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

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
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330237
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334708
2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103332803
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 103335448) is 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol is NNc1nc(NCC2(O)CCOCC2)c2ccsc2n1.
What is the InChIKey of 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is HEUSFDVNHBGVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c13-17-11-15-9(8-1-6-20-10(8)16-11)14-7-12(18)2-4-19-5-3-12/h1,6,18H,2-5,7,13H2,(H2,14,15,16,17).
What are the key properties of 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 295.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103335448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).