[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

C13H12N4O2S — CID 83191661

IUPAC[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc3c(c2)OCO3)nc2c1CSC2
InChIInChI=1S/C13H12N4O2S/c14-17-13-8-4-20-5-9(8)15-12(16-13)7-1-2-10-11(3-7)19-6-18-10/h1-3H,4-6,14H2,(H,15,16,17)
InChIKeyRURGPVOWEJSJQK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.90
Rot. Bonds2

About [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83191661) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83191661
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc3c(c2)OCO3)nc2c1CSC2
InChIInChI=1S/C13H12N4O2S/c14-17-13-8-4-20-5-9(8)15-12(16-13)7-1-2-10-11(3-7)19-6-18-10/h1-3H,4-6,14H2,(H,15,16,17)
InChIKeyRURGPVOWEJSJQK-UHFFFAOYSA-N
XLogP1.90
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83191661) is [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc3c(c2)OCO3)nc2c1CSC2.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is RURGPVOWEJSJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-17-13-8-4-20-5-9(8)15-12(16-13)7-1-2-10-11(3-7)19-6-18-10/h1-3H,4-6,14H2,(H,15,16,17).
What are the key properties of [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 288.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83191661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).