5-fluoro-3-nonylpyrimidin-4-one

C13H21FN2O — CID 166235598

IUPAC5-fluoro-3-nonylpyrimidin-4-one
SMILESCCCCCCCCCn1cncc(F)c1=O
InChIInChI=1S/C13H21FN2O/c1-2-3-4-5-6-7-8-9-16-11-15-10-12(14)13(16)17/h10-11H,2-9H2,1H3
InChIKeyPNKFKAPUCQGMPN-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.13
Rot. Bonds8

About 5-fluoro-3-nonylpyrimidin-4-one

5-fluoro-3-nonylpyrimidin-4-one (PubChem CID 166235598) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-fluoro-3-nonylpyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-3-nonylpyrimidin-4-one
PubChem CID166235598
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name5-fluoro-3-nonylpyrimidin-4-one
SMILESCCCCCCCCCn1cncc(F)c1=O
InChIInChI=1S/C13H21FN2O/c1-2-3-4-5-6-7-8-9-16-11-15-10-12(14)13(16)17/h10-11H,2-9H2,1H3
InChIKeyPNKFKAPUCQGMPN-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-nonylpyrimidin-4-one?
The IUPAC name of 5-fluoro-3-nonylpyrimidin-4-one (CID 166235598) is 5-fluoro-3-nonylpyrimidin-4-one.
What is the SMILES notation for 5-fluoro-3-nonylpyrimidin-4-one?
The canonical SMILES for 5-fluoro-3-nonylpyrimidin-4-one is CCCCCCCCCn1cncc(F)c1=O.
What is the InChIKey of 5-fluoro-3-nonylpyrimidin-4-one?
The InChIKey is PNKFKAPUCQGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-2-3-4-5-6-7-8-9-16-11-15-10-12(14)13(16)17/h10-11H,2-9H2,1H3.
What are the key properties of 5-fluoro-3-nonylpyrimidin-4-one?
5-fluoro-3-nonylpyrimidin-4-one has a molecular weight of 240.32 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-nonylpyrimidin-4-one is sourced from PubChem (CID 166235598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).