[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine

C10H8ClFN4S — CID 80924960

IUPAC[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8ClFN4S/c11-6-1-3-7(4-2-6)17-9-8(12)5-14-10(15-9)16-13/h1-5H,13H2,(H,14,15,16)
InChIKeyRPXGLMQNTSWOKW-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.71
Rot. Bonds3

About [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine

[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80924960) has the molecular formula C10H8ClFN4S and a molecular weight of 270.72 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80924960
Molecular FormulaC10H8ClFN4S
Molecular Weight270.72 g/mol
Exact Mass270.01
IUPAC Name[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8ClFN4S/c11-6-1-3-7(4-2-6)17-9-8(12)5-14-10(15-9)16-13/h1-5H,13H2,(H,14,15,16)
InChIKeyRPXGLMQNTSWOKW-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

[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 115479600
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
[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-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80925852
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80929228
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine (CID 80924960) is [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine is NNc1ncc(F)c(Sc2ccc(Cl)cc2)n1.
What is the InChIKey of [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is RPXGLMQNTSWOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4S/c11-6-1-3-7(4-2-6)17-9-8(12)5-14-10(15-9)16-13/h1-5H,13H2,(H,14,15,16).
What are the key properties of [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine?
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-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 [4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80924960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).