[5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine

C7H11FN4OS — CID 80922310

IUPAC[5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESCOCCSc1nc(NN)ncc1F
InChIInChI=1S/C7H11FN4OS/c1-13-2-3-14-6-5(8)4-10-7(11-6)12-9/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyOVJMZYDEAICQBD-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.64
Rot. Bonds5

About [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 80922310) has the molecular formula C7H11FN4OS and a molecular weight of 218.26 g/mol. Its IUPAC name is [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID80922310
Molecular FormulaC7H11FN4OS
Molecular Weight218.26 g/mol
Exact Mass218.06
IUPAC Name[5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESCOCCSc1nc(NN)ncc1F
InChIInChI=1S/C7H11FN4OS/c1-13-2-3-14-6-5(8)4-10-7(11-6)12-9/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyOVJMZYDEAICQBD-UHFFFAOYSA-N
XLogP0.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine (CID 80922310) is [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine is COCCSc1nc(NN)ncc1F.
What is the InChIKey of [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is OVJMZYDEAICQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4OS/c1-13-2-3-14-6-5(8)4-10-7(11-6)12-9/h4H,2-3,9H2,1H3,(H,10,11,12).
What are the key properties of [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 218.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).