[2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine

C13H12F2N4S — CID 80980285

IUPAC[2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2ccc(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H12F2N4S/c14-9-4-3-8(5-10(9)15)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19)
InChIKeyVCRGYXUBYBCHAH-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.07
Rot. Bonds4

About [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80980285) has the molecular formula C13H12F2N4S and a molecular weight of 294.33 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID80980285
Molecular FormulaC13H12F2N4S
Molecular Weight294.33 g/mol
Exact Mass294.08
IUPAC Name[2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2ccc(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H12F2N4S/c14-9-4-3-8(5-10(9)15)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19)
InChIKeyVCRGYXUBYBCHAH-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.07
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 [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 80980285) is [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine is NNc1cc(Sc2ccc(F)c(F)c2)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is VCRGYXUBYBCHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4S/c14-9-4-3-8(5-10(9)15)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19).
What are the key properties of [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 294.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).