5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one

C8H11FN2O — CID 58336949

IUPAC5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one
SMILESC=C1NC(=O)C(F)=CN1C(C)C
InChIInChI=1S/C8H11FN2O/c1-5(2)11-4-7(9)8(12)10-6(11)3/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyFDPMGYKAVPHSEO-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.11
Rot. Bonds1

About 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one

5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one (PubChem CID 58336949) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one
PubChem CID58336949
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one
SMILESC=C1NC(=O)C(F)=CN1C(C)C
InChIInChI=1S/C8H11FN2O/c1-5(2)11-4-7(9)8(12)10-6(11)3/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyFDPMGYKAVPHSEO-UHFFFAOYSA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one (CID 58336949) is 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one is C=C1NC(=O)C(F)=CN1C(C)C.
What is the InChIKey of 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one?
The InChIKey is FDPMGYKAVPHSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5(2)11-4-7(9)8(12)10-6(11)3/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one?
5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one has a molecular weight of 170.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 58336949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).