5-fluoro-3-hex-5-enylpyrimidin-4-one

C10H13FN2O — CID 166235596

IUPAC5-fluoro-3-hex-5-enylpyrimidin-4-one
SMILESC=CCCCCn1cncc(F)c1=O
InChIInChI=1S/C10H13FN2O/c1-2-3-4-5-6-13-8-12-7-9(11)10(13)14/h2,7-8H,1,3-6H2
InChIKeyKTQMTVZCEPOBQE-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.74
Rot. Bonds5

About 5-fluoro-3-hex-5-enylpyrimidin-4-one

5-fluoro-3-hex-5-enylpyrimidin-4-one (PubChem CID 166235596) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 5-fluoro-3-hex-5-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-3-hex-5-enylpyrimidin-4-one
PubChem CID166235596
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name5-fluoro-3-hex-5-enylpyrimidin-4-one
SMILESC=CCCCCn1cncc(F)c1=O
InChIInChI=1S/C10H13FN2O/c1-2-3-4-5-6-13-8-12-7-9(11)10(13)14/h2,7-8H,1,3-6H2
InChIKeyKTQMTVZCEPOBQE-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hex-5-enylpyrimidin-4-one?
The IUPAC name of 5-fluoro-3-hex-5-enylpyrimidin-4-one (CID 166235596) is 5-fluoro-3-hex-5-enylpyrimidin-4-one.
What is the SMILES notation for 5-fluoro-3-hex-5-enylpyrimidin-4-one?
The canonical SMILES for 5-fluoro-3-hex-5-enylpyrimidin-4-one is C=CCCCCn1cncc(F)c1=O.
What is the InChIKey of 5-fluoro-3-hex-5-enylpyrimidin-4-one?
The InChIKey is KTQMTVZCEPOBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-3-4-5-6-13-8-12-7-9(11)10(13)14/h2,7-8H,1,3-6H2.
What are the key properties of 5-fluoro-3-hex-5-enylpyrimidin-4-one?
5-fluoro-3-hex-5-enylpyrimidin-4-one has a molecular weight of 196.22 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hex-5-enylpyrimidin-4-one is sourced from PubChem (CID 166235596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).