[2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine

C8H11ClFN5O — CID 141304015

IUPAC[2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCOC1CN(c2nc(Cl)nc(NN)c2F)C1
InChIInChI=1S/C8H11ClFN5O/c1-16-4-2-15(3-4)7-5(10)6(14-11)12-8(9)13-7/h4H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyCJDYWTZWGKTJSP-UHFFFAOYSA-N
MW247.66 g/mol
LogP0.39
Rot. Bonds3

About [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine

[2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 141304015) has the molecular formula C8H11ClFN5O and a molecular weight of 247.66 g/mol. Its IUPAC name is [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID141304015
Molecular FormulaC8H11ClFN5O
Molecular Weight247.66 g/mol
Exact Mass247.06
IUPAC Name[2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCOC1CN(c2nc(Cl)nc(NN)c2F)C1
InChIInChI=1S/C8H11ClFN5O/c1-16-4-2-15(3-4)7-5(10)6(14-11)12-8(9)13-7/h4H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyCJDYWTZWGKTJSP-UHFFFAOYSA-N
XLogP0.39
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 50.39
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-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine (CID 141304015) is [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine is COC1CN(c2nc(Cl)nc(NN)c2F)C1.
What is the InChIKey of [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is CJDYWTZWGKTJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN5O/c1-16-4-2-15(3-4)7-5(10)6(14-11)12-8(9)13-7/h4H,2-3,11H2,1H3,(H,12,13,14).
What are the key properties of [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine?
[2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 247.66 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 141304015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).