[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

C10H13N5O2S — CID 106928791

IUPAC[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(Sc2ncco2)n1
InChIInChI=1S/C10H13N5O2S/c1-2-16-6-8-13-7(15-11)5-9(14-8)18-10-12-3-4-17-10/h3-5H,2,6,11H2,1H3,(H,13,14,15)
InChIKeyQPYIFYSEGVWVFN-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.44
Rot. Bonds6

About [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 106928791) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID106928791
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(Sc2ncco2)n1
InChIInChI=1S/C10H13N5O2S/c1-2-16-6-8-13-7(15-11)5-9(14-8)18-10-12-3-4-17-10/h3-5H,2,6,11H2,1H3,(H,13,14,15)
InChIKeyQPYIFYSEGVWVFN-UHFFFAOYSA-N
XLogP1.44
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 106928791) is [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is CCOCc1nc(NN)cc(Sc2ncco2)n1.
What is the InChIKey of [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QPYIFYSEGVWVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-16-6-8-13-7(15-11)5-9(14-8)18-10-12-3-4-17-10/h3-5H,2,6,11H2,1H3,(H,13,14,15).
What are the key properties of [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 267.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106928791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).