[6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C9H13F3N4OS — CID 106776617

IUPAC[6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOCCCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4OS/c1-17-3-2-4-18-7-5-6(16-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyOYTFSLKXQCWMPH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.91
Rot. Bonds6

About [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776617) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776617
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name[6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOCCCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4OS/c1-17-3-2-4-18-7-5-6(16-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyOYTFSLKXQCWMPH-UHFFFAOYSA-N
XLogP1.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776617) is [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is COCCCSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is OYTFSLKXQCWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-17-3-2-4-18-7-5-6(16-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 282.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).