(5-fluoropyrimidin-4-yl) butanoate

C8H9FN2O2 — CID 123818562

IUPAC(5-fluoropyrimidin-4-yl) butanoate
SMILESCCCC(=O)Oc1ncncc1F
InChIInChI=1S/C8H9FN2O2/c1-2-3-7(12)13-8-6(9)4-10-5-11-8/h4-5H,2-3H2,1H3
InChIKeyBLABYRQPAJLBET-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.32
Rot. Bonds3

About (5-fluoropyrimidin-4-yl) butanoate

(5-fluoropyrimidin-4-yl) butanoate (PubChem CID 123818562) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (5-fluoropyrimidin-4-yl) butanoate.

Molecular Properties

Compound Name(5-fluoropyrimidin-4-yl) butanoate
PubChem CID123818562
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(5-fluoropyrimidin-4-yl) butanoate
SMILESCCCC(=O)Oc1ncncc1F
InChIInChI=1S/C8H9FN2O2/c1-2-3-7(12)13-8-6(9)4-10-5-11-8/h4-5H,2-3H2,1H3
InChIKeyBLABYRQPAJLBET-UHFFFAOYSA-N
XLogP1.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoropyrimidin-4-yl) butanoate?
The IUPAC name of (5-fluoropyrimidin-4-yl) butanoate (CID 123818562) is (5-fluoropyrimidin-4-yl) butanoate.
What is the SMILES notation for (5-fluoropyrimidin-4-yl) butanoate?
The canonical SMILES for (5-fluoropyrimidin-4-yl) butanoate is CCCC(=O)Oc1ncncc1F.
What is the InChIKey of (5-fluoropyrimidin-4-yl) butanoate?
The InChIKey is BLABYRQPAJLBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-3-7(12)13-8-6(9)4-10-5-11-8/h4-5H,2-3H2,1H3.
What are the key properties of (5-fluoropyrimidin-4-yl) butanoate?
(5-fluoropyrimidin-4-yl) butanoate has a molecular weight of 184.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropyrimidin-4-yl) butanoate is sourced from PubChem (CID 123818562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).