[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine

C11H18N4OS — CID 79969508

IUPAC[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(C2CSCCO2)n1
InChIInChI=1S/C11H18N4OS/c1-2-3-8-6-10(15-12)14-11(13-8)9-7-17-5-4-16-9/h6,9H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyWZLINUTUWSCJFE-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.52
Rot. Bonds4

About [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine

[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 79969508) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID79969508
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(C2CSCCO2)n1
InChIInChI=1S/C11H18N4OS/c1-2-3-8-6-10(15-12)14-11(13-8)9-7-17-5-4-16-9/h6,9H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyWZLINUTUWSCJFE-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.52
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-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine (CID 79969508) is [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(C2CSCCO2)n1.
What is the InChIKey of [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is WZLINUTUWSCJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-3-8-6-10(15-12)14-11(13-8)9-7-17-5-4-16-9/h6,9H,2-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 254.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79969508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).