4-amino-5-fluoro-1-propanoylpyrimidin-2-one

C7H8FN3O2 — CID 67322080

IUPAC4-amino-5-fluoro-1-propanoylpyrimidin-2-one
SMILESCCC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C7H8FN3O2/c1-2-5(12)11-3-4(8)6(9)10-7(11)13/h3H,2H2,1H3,(H2,9,10,13)
InChIKeyDIATVVBYQAKPME-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.01
Rot. Bonds1

About 4-amino-5-fluoro-1-propanoylpyrimidin-2-one

4-amino-5-fluoro-1-propanoylpyrimidin-2-one (PubChem CID 67322080) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-propanoylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-propanoylpyrimidin-2-one
PubChem CID67322080
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name4-amino-5-fluoro-1-propanoylpyrimidin-2-one
SMILESCCC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C7H8FN3O2/c1-2-5(12)11-3-4(8)6(9)10-7(11)13/h3H,2H2,1H3,(H2,9,10,13)
InChIKeyDIATVVBYQAKPME-UHFFFAOYSA-N
XLogP0.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-propanoylpyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-propanoylpyrimidin-2-one (CID 67322080) is 4-amino-5-fluoro-1-propanoylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-propanoylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-propanoylpyrimidin-2-one is CCC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-propanoylpyrimidin-2-one?
The InChIKey is DIATVVBYQAKPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-2-5(12)11-3-4(8)6(9)10-7(11)13/h3H,2H2,1H3,(H2,9,10,13).
What are the key properties of 4-amino-5-fluoro-1-propanoylpyrimidin-2-one?
4-amino-5-fluoro-1-propanoylpyrimidin-2-one has a molecular weight of 185.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-propanoylpyrimidin-2-one is sourced from PubChem (CID 67322080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).