ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate

C14H21FN2O4 — CID 13041415

IUPACethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate
SMILESCCCC(CCCn1cc(F)c(=O)[nH]c1=O)C(=O)OCC
InChIInChI=1S/C14H21FN2O4/c1-3-6-10(13(19)21-4-2)7-5-8-17-9-11(15)12(18)16-14(17)20/h9-10H,3-8H2,1-2H3,(H,16,18,20)
InChIKeyKGZLGYGYJHREBP-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.44
Rot. Bonds8

About ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate

ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate (PubChem CID 13041415) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate
PubChem CID13041415
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Nameethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate
SMILESCCCC(CCCn1cc(F)c(=O)[nH]c1=O)C(=O)OCC
InChIInChI=1S/C14H21FN2O4/c1-3-6-10(13(19)21-4-2)7-5-8-17-9-11(15)12(18)16-14(17)20/h9-10H,3-8H2,1-2H3,(H,16,18,20)
InChIKeyKGZLGYGYJHREBP-UHFFFAOYSA-N
XLogP1.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate?
The IUPAC name of ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate (CID 13041415) is ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate.
What is the SMILES notation for ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate?
The canonical SMILES for ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate is CCCC(CCCn1cc(F)c(=O)[nH]c1=O)C(=O)OCC.
What is the InChIKey of ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate?
The InChIKey is KGZLGYGYJHREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-3-6-10(13(19)21-4-2)7-5-8-17-9-11(15)12(18)16-14(17)20/h9-10H,3-8H2,1-2H3,(H,16,18,20).
What are the key properties of ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate?
ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate has a molecular weight of 300.33 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-propylpentanoate is sourced from PubChem (CID 13041415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).