5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one

C5H4FN3O — CID 163778239

IUPAC5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one
SMILESC=Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C5H4FN3O/c1-7-4-3(6)2-8-5(10)9-4/h2H,1H2,(H,8,9,10)
InChIKeyMMJBANGEIIBGEW-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.24
Rot. Bonds1

About 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one

5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one (PubChem CID 163778239) has the molecular formula C5H4FN3O and a molecular weight of 141.10 g/mol. Its IUPAC name is 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one
PubChem CID163778239
Molecular FormulaC5H4FN3O
Molecular Weight141.10 g/mol
Exact Mass141.03
IUPAC Name5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one
SMILESC=Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C5H4FN3O/c1-7-4-3(6)2-8-5(10)9-4/h2H,1H2,(H,8,9,10)
InChIKeyMMJBANGEIIBGEW-UHFFFAOYSA-N
XLogP0.24
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-(methylideneamino)-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-(methylideneamino)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one (CID 163778239) is 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one is C=Nc1[nH]c(=O)ncc1F.
What is the InChIKey of 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one?
The InChIKey is MMJBANGEIIBGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O/c1-7-4-3(6)2-8-5(10)9-4/h2H,1H2,(H,8,9,10).
What are the key properties of 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one?
5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one has a molecular weight of 141.10 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 163778239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).