3-(2-fluorobutyl)pyrimidin-4-one

C8H11FN2O — CID 130679434

IUPAC3-(2-fluorobutyl)pyrimidin-4-one
SMILESCCC(F)Cn1cnccc1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)5-11-6-10-4-3-8(11)12/h3-4,6-7H,2,5H2,1H3
InChIKeyYOEGVBJNUOGDKS-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.99
Rot. Bonds3

About 3-(2-fluorobutyl)pyrimidin-4-one

3-(2-fluorobutyl)pyrimidin-4-one (PubChem CID 130679434) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-(2-fluorobutyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluorobutyl)pyrimidin-4-one
PubChem CID130679434
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-(2-fluorobutyl)pyrimidin-4-one
SMILESCCC(F)Cn1cnccc1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)5-11-6-10-4-3-8(11)12/h3-4,6-7H,2,5H2,1H3
InChIKeyYOEGVBJNUOGDKS-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobutyl)pyrimidin-4-one?
The IUPAC name of 3-(2-fluorobutyl)pyrimidin-4-one (CID 130679434) is 3-(2-fluorobutyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-fluorobutyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-fluorobutyl)pyrimidin-4-one is CCC(F)Cn1cnccc1=O.
What is the InChIKey of 3-(2-fluorobutyl)pyrimidin-4-one?
The InChIKey is YOEGVBJNUOGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-7(9)5-11-6-10-4-3-8(11)12/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 3-(2-fluorobutyl)pyrimidin-4-one?
3-(2-fluorobutyl)pyrimidin-4-one has a molecular weight of 170.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobutyl)pyrimidin-4-one is sourced from PubChem (CID 130679434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).