[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

C13H14F2N4S — CID 80926034

IUPAC[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N4S/c1-7(2)11-12(19-16)17-6-18-13(11)20-8-3-4-9(14)10(15)5-8/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyCKLPWLZYUGYYGX-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.32
Rot. Bonds4

About [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80926034) has the molecular formula C13H14F2N4S and a molecular weight of 296.35 g/mol. Its IUPAC name is [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80926034
Molecular FormulaC13H14F2N4S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N4S/c1-7(2)11-12(19-16)17-6-18-13(11)20-8-3-4-9(14)10(15)5-8/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyCKLPWLZYUGYYGX-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80926034) is [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is CKLPWLZYUGYYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4S/c1-7(2)11-12(19-16)17-6-18-13(11)20-8-3-4-9(14)10(15)5-8/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 296.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80926034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).