[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C11H17FN6 — CID 79973693

IUPAC[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CN3CCN2CC3)nc(NN)c1F
InChIInChI=1S/C11H17FN6/c1-7-9(12)11(16-13)15-10(14-7)8-6-17-2-4-18(8)5-3-17/h8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyRLUCKSRKHCURNE-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.12
Rot. Bonds2

About [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 79973693) has the molecular formula C11H17FN6 and a molecular weight of 252.30 g/mol. Its IUPAC name is [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID79973693
Molecular FormulaC11H17FN6
Molecular Weight252.30 g/mol
Exact Mass252.15
IUPAC Name[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CN3CCN2CC3)nc(NN)c1F
InChIInChI=1S/C11H17FN6/c1-7-9(12)11(16-13)15-10(14-7)8-6-17-2-4-18(8)5-3-17/h8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyRLUCKSRKHCURNE-UHFFFAOYSA-N
XLogP-0.12
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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 [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 79973693) is [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is Cc1nc(C2CN3CCN2CC3)nc(NN)c1F.
What is the InChIKey of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is RLUCKSRKHCURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN6/c1-7-9(12)11(16-13)15-10(14-7)8-6-17-2-4-18(8)5-3-17/h8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 252.30 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79973693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).