4-amino-1-ethenyl-5-fluoropyrimidin-2-one

C6H6FN3O — CID 25023306

IUPAC4-amino-1-ethenyl-5-fluoropyrimidin-2-one
SMILESC=Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C6H6FN3O/c1-2-10-3-4(7)5(8)9-6(10)11/h2-3H,1H2,(H2,8,9,11)
InChIKeyFNUYCLUVWHIBNQ-UHFFFAOYSA-N
MW155.13 g/mol
LogP0.07
Rot. Bonds1

About 4-amino-1-ethenyl-5-fluoropyrimidin-2-one

4-amino-1-ethenyl-5-fluoropyrimidin-2-one (PubChem CID 25023306) has the molecular formula C6H6FN3O and a molecular weight of 155.13 g/mol. Its IUPAC name is 4-amino-1-ethenyl-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-ethenyl-5-fluoropyrimidin-2-one
PubChem CID25023306
Molecular FormulaC6H6FN3O
Molecular Weight155.13 g/mol
Exact Mass155.05
IUPAC Name4-amino-1-ethenyl-5-fluoropyrimidin-2-one
SMILESC=Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C6H6FN3O/c1-2-10-3-4(7)5(8)9-6(10)11/h2-3H,1H2,(H2,8,9,11)
InChIKeyFNUYCLUVWHIBNQ-UHFFFAOYSA-N
XLogP0.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethenyl-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-ethenyl-5-fluoropyrimidin-2-one (CID 25023306) is 4-amino-1-ethenyl-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-ethenyl-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-ethenyl-5-fluoropyrimidin-2-one is C=Cn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-ethenyl-5-fluoropyrimidin-2-one?
The InChIKey is FNUYCLUVWHIBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O/c1-2-10-3-4(7)5(8)9-6(10)11/h2-3H,1H2,(H2,8,9,11).
What are the key properties of 4-amino-1-ethenyl-5-fluoropyrimidin-2-one?
4-amino-1-ethenyl-5-fluoropyrimidin-2-one has a molecular weight of 155.13 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethenyl-5-fluoropyrimidin-2-one is sourced from PubChem (CID 25023306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).