[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine

C11H18FN5O — CID 107396489

IUPAC[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCOC1(C)CCCN(c2nc(NN)ncc2F)C1
InChIInChI=1S/C11H18FN5O/c1-11(18-2)4-3-5-17(7-11)9-8(12)6-14-10(15-9)16-13/h6H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyQEKQHTWAACUAGI-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.91
Rot. Bonds3

About [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 107396489) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID107396489
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCOC1(C)CCCN(c2nc(NN)ncc2F)C1
InChIInChI=1S/C11H18FN5O/c1-11(18-2)4-3-5-17(7-11)9-8(12)6-14-10(15-9)16-13/h6H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyQEKQHTWAACUAGI-UHFFFAOYSA-N
XLogP0.91
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.91
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 [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine (CID 107396489) is [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine is COC1(C)CCCN(c2nc(NN)ncc2F)C1.
What is the InChIKey of [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is QEKQHTWAACUAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-11(18-2)4-3-5-17(7-11)9-8(12)6-14-10(15-9)16-13/h6H,3-5,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 255.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107396489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).