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

C10H13FN2O4 — CID 14551426

IUPACethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
SMILESCCOC(=O)CCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-2-17-8(14)4-3-5-13-6-7(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16)
InChIKeyNHPFZPZYUMEMDJ-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.02
Rot. Bonds5

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

ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate (PubChem CID 14551426) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
PubChem CID14551426
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Nameethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
SMILESCCOC(=O)CCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-2-17-8(14)4-3-5-13-6-7(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16)
InChIKeyNHPFZPZYUMEMDJ-UHFFFAOYSA-N
XLogP0.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate?
The IUPAC name of ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate (CID 14551426) is ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate is CCOC(=O)CCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate?
The InChIKey is NHPFZPZYUMEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-2-17-8(14)4-3-5-13-6-7(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16).
What are the key properties of ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate?
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate has a molecular weight of 244.22 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate is sourced from PubChem (CID 14551426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).