[5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine

C9H9FN6S — CID 80923679

IUPAC[5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCc1ccnc(Sc2nc(NN)ncc2F)n1
InChIInChI=1S/C9H9FN6S/c1-5-2-3-12-9(14-5)17-7-6(10)4-13-8(15-7)16-11/h2-4H,11H2,1H3,(H,13,15,16)
InChIKeyBPFRBLKQTPIWLZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.15
Rot. Bonds3

About [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine

[5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80923679) has the molecular formula C9H9FN6S and a molecular weight of 252.28 g/mol. Its IUPAC name is [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80923679
Molecular FormulaC9H9FN6S
Molecular Weight252.28 g/mol
Exact Mass252.06
IUPAC Name[5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCc1ccnc(Sc2nc(NN)ncc2F)n1
InChIInChI=1S/C9H9FN6S/c1-5-2-3-12-9(14-5)17-7-6(10)4-13-8(15-7)16-11/h2-4H,11H2,1H3,(H,13,15,16)
InChIKeyBPFRBLKQTPIWLZ-UHFFFAOYSA-N
XLogP1.15
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine (CID 80923679) is [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine is Cc1ccnc(Sc2nc(NN)ncc2F)n1.
What is the InChIKey of [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is BPFRBLKQTPIWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN6S/c1-5-2-3-12-9(14-5)17-7-6(10)4-13-8(15-7)16-11/h2-4H,11H2,1H3,(H,13,15,16).
What are the key properties of [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
[5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 252.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80923679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).