1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol

C8H12FN5O2 — CID 106674672

IUPAC1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESNNc1ncc(F)c(N2CC(O)C(O)C2)n1
InChIInChI=1S/C8H12FN5O2/c9-4-1-11-8(13-10)12-7(4)14-2-5(15)6(16)3-14/h1,5-6,15-16H,2-3,10H2,(H,11,12,13)
InChIKeyJSBHFPNFSYNBTP-UHFFFAOYSA-N
MW229.22 g/mol
LogP-1.56
Rot. Bonds2

About 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol

1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106674672) has the molecular formula C8H12FN5O2 and a molecular weight of 229.22 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
PubChem CID106674672
Molecular FormulaC8H12FN5O2
Molecular Weight229.22 g/mol
Exact Mass229.10
IUPAC Name1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESNNc1ncc(F)c(N2CC(O)C(O)C2)n1
InChIInChI=1S/C8H12FN5O2/c9-4-1-11-8(13-10)12-7(4)14-2-5(15)6(16)3-14/h1,5-6,15-16H,2-3,10H2,(H,11,12,13)
InChIKeyJSBHFPNFSYNBTP-UHFFFAOYSA-N
XLogP-1.56
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
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 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol (CID 106674672) is 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol is NNc1ncc(F)c(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is JSBHFPNFSYNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN5O2/c9-4-1-11-8(13-10)12-7(4)14-2-5(15)6(16)3-14/h1,5-6,15-16H,2-3,10H2,(H,11,12,13).
What are the key properties of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 229.22 g/mol, XLogP of -1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).