[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine

C12H14N4OS — CID 80930601

IUPAC[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
SMILESCOc1ccc(Sc2cc(NN)nc(C)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-8-14-11(16-13)7-12(15-8)18-10-5-3-9(17-2)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeySUJBVWTYMHBVGO-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.23
Rot. Bonds4

About [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine

[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80930601) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80930601
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
SMILESCOc1ccc(Sc2cc(NN)nc(C)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-8-14-11(16-13)7-12(15-8)18-10-5-3-9(17-2)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeySUJBVWTYMHBVGO-UHFFFAOYSA-N
XLogP2.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.23
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 [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine (CID 80930601) is [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine is COc1ccc(Sc2cc(NN)nc(C)n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is SUJBVWTYMHBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-14-11(16-13)7-12(15-8)18-10-5-3-9(17-2)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine?
[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 262.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).