3-butyl-5-fluoropyrimidin-4-one

C8H11FN2O — CID 126791093

IUPAC3-butyl-5-fluoropyrimidin-4-one
SMILESCCCCn1cncc(F)c1=O
InChIInChI=1S/C8H11FN2O/c1-2-3-4-11-6-10-5-7(9)8(11)12/h5-6H,2-4H2,1H3
InChIKeyZSBYNYFJIFRMBG-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.18
Rot. Bonds3

About 3-butyl-5-fluoropyrimidin-4-one

3-butyl-5-fluoropyrimidin-4-one (PubChem CID 126791093) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-butyl-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-5-fluoropyrimidin-4-one
PubChem CID126791093
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-butyl-5-fluoropyrimidin-4-one
SMILESCCCCn1cncc(F)c1=O
InChIInChI=1S/C8H11FN2O/c1-2-3-4-11-6-10-5-7(9)8(11)12/h5-6H,2-4H2,1H3
InChIKeyZSBYNYFJIFRMBG-UHFFFAOYSA-N
XLogP1.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-fluoropyrimidin-4-one?
The IUPAC name of 3-butyl-5-fluoropyrimidin-4-one (CID 126791093) is 3-butyl-5-fluoropyrimidin-4-one.
What is the SMILES notation for 3-butyl-5-fluoropyrimidin-4-one?
The canonical SMILES for 3-butyl-5-fluoropyrimidin-4-one is CCCCn1cncc(F)c1=O.
What is the InChIKey of 3-butyl-5-fluoropyrimidin-4-one?
The InChIKey is ZSBYNYFJIFRMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-3-4-11-6-10-5-7(9)8(11)12/h5-6H,2-4H2,1H3.
What are the key properties of 3-butyl-5-fluoropyrimidin-4-one?
3-butyl-5-fluoropyrimidin-4-one has a molecular weight of 170.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-fluoropyrimidin-4-one is sourced from PubChem (CID 126791093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).