[5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine

C7H7FN6S — CID 107785370

IUPAC[5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C7H7FN6S/c8-4-3-12-6(14-9)13-5(4)15-7-10-1-2-11-7/h1-3H,9H2,(H,10,11)(H,12,13,14)
InChIKeyLTDGSQZDCRDZCH-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.78
Rot. Bonds3

About [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 107785370) has the molecular formula C7H7FN6S and a molecular weight of 226.24 g/mol. Its IUPAC name is [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID107785370
Molecular FormulaC7H7FN6S
Molecular Weight226.24 g/mol
Exact Mass226.04
IUPAC Name[5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C7H7FN6S/c8-4-3-12-6(14-9)13-5(4)15-7-10-1-2-11-7/h1-3H,9H2,(H,10,11)(H,12,13,14)
InChIKeyLTDGSQZDCRDZCH-UHFFFAOYSA-N
XLogP0.78
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine (CID 107785370) is [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(Sc2ncc[nH]2)n1.
What is the InChIKey of [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is LTDGSQZDCRDZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN6S/c8-4-3-12-6(14-9)13-5(4)15-7-10-1-2-11-7/h1-3H,9H2,(H,10,11)(H,12,13,14).
What are the key properties of [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 226.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107785370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).