[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine

C10H16N4OS — CID 79969957

IUPAC[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CSCCO2)nc(NN)c1C
InChIInChI=1S/C10H16N4OS/c1-6-7(2)12-10(13-9(6)14-11)8-5-16-4-3-15-8/h8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyAYISEEMAFJFZKE-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.18
Rot. Bonds2

About [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine

[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 79969957) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID79969957
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CSCCO2)nc(NN)c1C
InChIInChI=1S/C10H16N4OS/c1-6-7(2)12-10(13-9(6)14-11)8-5-16-4-3-15-8/h8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyAYISEEMAFJFZKE-UHFFFAOYSA-N
XLogP1.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.18
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 [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine (CID 79969957) is [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine is Cc1nc(C2CSCCO2)nc(NN)c1C.
What is the InChIKey of [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is AYISEEMAFJFZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6-7(2)12-10(13-9(6)14-11)8-5-16-4-3-15-8/h8H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine?
[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 240.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79969957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).