[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C14H18N4OS — CID 106849610

IUPAC[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCCSc1ccc(-c2nc(COC)cc(NN)n2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-20-12-6-4-10(5-7-12)14-16-11(9-19-2)8-13(17-14)18-15/h4-8H,3,9,15H2,1-2H3,(H,16,17,18)
InChIKeyLGMVROMZJXIPLN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.69
Rot. Bonds6

About [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106849610) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID106849610
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCCSc1ccc(-c2nc(COC)cc(NN)n2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-20-12-6-4-10(5-7-12)14-16-11(9-19-2)8-13(17-14)18-15/h4-8H,3,9,15H2,1-2H3,(H,16,17,18)
InChIKeyLGMVROMZJXIPLN-UHFFFAOYSA-N
XLogP2.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.69
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-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 106849610) is [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is CCSc1ccc(-c2nc(COC)cc(NN)n2)cc1.
What is the InChIKey of [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is LGMVROMZJXIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-20-12-6-4-10(5-7-12)14-16-11(9-19-2)8-13(17-14)18-15/h4-8H,3,9,15H2,1-2H3,(H,16,17,18).
What are the key properties of [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 290.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106849610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).