[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine

C10H8ClFN4S — CID 80927318

IUPAC[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H8ClFN4S/c11-8-5-14-10(16-13)15-9(8)17-7-3-1-2-6(12)4-7/h1-5H,13H2,(H,14,15,16)
InChIKeyDNWCIAIHPLEKCE-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.71
Rot. Bonds3

About [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine

[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80927318) has the molecular formula C10H8ClFN4S and a molecular weight of 270.72 g/mol. Its IUPAC name is [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80927318
Molecular FormulaC10H8ClFN4S
Molecular Weight270.72 g/mol
Exact Mass270.01
IUPAC Name[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H8ClFN4S/c11-8-5-14-10(16-13)15-9(8)17-7-3-1-2-6(12)4-7/h1-5H,13H2,(H,14,15,16)
InChIKeyDNWCIAIHPLEKCE-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.71
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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Related Compounds

[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 115479600
3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 114073919
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772950

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine (CID 80927318) is [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine is NNc1ncc(Cl)c(Sc2cccc(F)c2)n1.
What is the InChIKey of [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is DNWCIAIHPLEKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4S/c11-8-5-14-10(16-13)15-9(8)17-7-3-1-2-6(12)4-7/h1-5H,13H2,(H,14,15,16).
What are the key properties of [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 270.72 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80927318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).