[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine

C12H13FN4S — CID 105236619

IUPAC[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(CSc1ccc(F)cc1)c1cncnc1
InChIInChI=1S/C12H13FN4S/c13-10-1-3-11(4-2-10)18-7-12(17-14)9-5-15-8-16-6-9/h1-6,8,12,17H,7,14H2
InChIKeyJVQQKKJRWVPUFC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.91
Rot. Bonds5

About [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine

[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine (PubChem CID 105236619) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine
PubChem CID105236619
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(CSc1ccc(F)cc1)c1cncnc1
InChIInChI=1S/C12H13FN4S/c13-10-1-3-11(4-2-10)18-7-12(17-14)9-5-15-8-16-6-9/h1-6,8,12,17H,7,14H2
InChIKeyJVQQKKJRWVPUFC-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.91
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

2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 66071816
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697
[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236679
[2-(4-fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 103140305
[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105236731
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 107895625
[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine
CID 105236768
N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
CID 65143673
[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105235964
[2-(2-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105238198

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine?
The IUPAC name of [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine (CID 105236619) is [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine is NNC(CSc1ccc(F)cc1)c1cncnc1.
What is the InChIKey of [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine?
The InChIKey is JVQQKKJRWVPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c13-10-1-3-11(4-2-10)18-7-12(17-14)9-5-15-8-16-6-9/h1-6,8,12,17H,7,14H2.
What are the key properties of [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine?
[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine has a molecular weight of 264.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine is sourced from PubChem (CID 105236619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).