5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one

C9H7FN4O2 — CID 59160692

IUPAC5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(N/N=C/c2ccco2)[nH]1
InChIInChI=1S/C9H7FN4O2/c10-7-5-11-9(15)13-8(7)14-12-4-6-2-1-3-16-6/h1-5H,(H2,11,13,14,15)/b12-4+
InChIKeyZQQYGRMLRTVJHF-UUILKARUSA-N
MW222.18 g/mol
LogP0.95
Rot. Bonds3

About 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one

5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one (PubChem CID 59160692) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
PubChem CID59160692
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(N/N=C/c2ccco2)[nH]1
InChIInChI=1S/C9H7FN4O2/c10-7-5-11-9(15)13-8(7)14-12-4-6-2-1-3-16-6/h1-5H,(H2,11,13,14,15)/b12-4+
InChIKeyZQQYGRMLRTVJHF-UUILKARUSA-N
XLogP0.95
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one (CID 59160692) is 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one is O=c1ncc(F)c(N/N=C/c2ccco2)[nH]1.
What is the InChIKey of 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one?
The InChIKey is ZQQYGRMLRTVJHF-UUILKARUSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-7-5-11-9(15)13-8(7)14-12-4-6-2-1-3-16-6/h1-5H,(H2,11,13,14,15)/b12-4+.
What are the key properties of 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one?
5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one has a molecular weight of 222.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 59160692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).