[6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine

C7H9ClFN5 — CID 141304021

IUPAC[6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cl)nc(N2CCC2)c1F
InChIInChI=1S/C7H9ClFN5/c8-7-11-5(13-10)4(9)6(12-7)14-2-1-3-14/h1-3,10H2,(H,11,12,13)
InChIKeySKSKURYNGDTBEV-UHFFFAOYSA-N
MW217.63 g/mol
LogP0.76
Rot. Bonds2

About [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine

[6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine (PubChem CID 141304021) has the molecular formula C7H9ClFN5 and a molecular weight of 217.63 g/mol. Its IUPAC name is [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine
PubChem CID141304021
Molecular FormulaC7H9ClFN5
Molecular Weight217.63 g/mol
Exact Mass217.05
IUPAC Name[6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cl)nc(N2CCC2)c1F
InChIInChI=1S/C7H9ClFN5/c8-7-11-5(13-10)4(9)6(12-7)14-2-1-3-14/h1-3,10H2,(H,11,12,13)
InChIKeySKSKURYNGDTBEV-UHFFFAOYSA-N
XLogP0.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine (CID 141304021) is [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine is NNc1nc(Cl)nc(N2CCC2)c1F.
What is the InChIKey of [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine?
The InChIKey is SKSKURYNGDTBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN5/c8-7-11-5(13-10)4(9)6(12-7)14-2-1-3-14/h1-3,10H2,(H,11,12,13).
What are the key properties of [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine?
[6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine has a molecular weight of 217.63 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 141304021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).