[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C13H18N4O2S — CID 116777429

IUPAC[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCOC1(c2nc(NN)c3ccsc3n2)CCOCC1
InChIInChI=1S/C13H18N4O2S/c1-2-19-13(4-6-18-7-5-13)12-15-10(17-14)9-3-8-20-11(9)16-12/h3,8H,2,4-7,14H2,1H3,(H,15,16,17)
InChIKeyOUTWLELLPSNMIH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.02
Rot. Bonds4

About [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 116777429) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID116777429
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCOC1(c2nc(NN)c3ccsc3n2)CCOCC1
InChIInChI=1S/C13H18N4O2S/c1-2-19-13(4-6-18-7-5-13)12-15-10(17-14)9-3-8-20-11(9)16-12/h3,8H,2,4-7,14H2,1H3,(H,15,16,17)
InChIKeyOUTWLELLPSNMIH-UHFFFAOYSA-N
XLogP2.02
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777447
[2-(1-ethoxycyclopentyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777458
[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 116777758
2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330237
4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 103335448
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116742281
[2-[(3,3-dimethylmorpholin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245346
2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330122
[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777433
2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 116728373
2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777361
[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65281811

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 116777429) is [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CCOC1(c2nc(NN)c3ccsc3n2)CCOCC1.
What is the InChIKey of [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is OUTWLELLPSNMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-19-13(4-6-18-7-5-13)12-15-10(17-14)9-3-8-20-11(9)16-12/h3,8H,2,4-7,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 294.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).