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

C11H16N4OS — CID 83201096

IUPAC[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCCOC2)nc2c1CSC2
InChIInChI=1S/C11H16N4OS/c12-15-11-8-5-17-6-9(8)13-10(14-11)7-2-1-3-16-4-7/h7H,1-6,12H2,(H,13,14,15)
InChIKeyCZGKRLVRDPXYFZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.40
Rot. Bonds2

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

[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83201096) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83201096
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCCOC2)nc2c1CSC2
InChIInChI=1S/C11H16N4OS/c12-15-11-8-5-17-6-9(8)13-10(14-11)7-2-1-3-16-4-7/h7H,1-6,12H2,(H,13,14,15)
InChIKeyCZGKRLVRDPXYFZ-UHFFFAOYSA-N
XLogP1.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83201096) is [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(C2CCCOC2)nc2c1CSC2.
What is the InChIKey of [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is CZGKRLVRDPXYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c12-15-11-8-5-17-6-9(8)13-10(14-11)7-2-1-3-16-4-7/h7H,1-6,12H2,(H,13,14,15).
What are the key properties of [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 252.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83201096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).