ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate

C10H14FN3O4 — CID 58166409

IUPACethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate
SMILESCCOC(=O)C(OCC)n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O4/c1-3-17-8(9(15)18-4-2)14-5-6(11)7(12)13-10(14)16/h5,8H,3-4H2,1-2H3,(H2,12,13,16)
InChIKeyLBAUWAFSEXRALC-UHFFFAOYSA-N
MW259.24 g/mol
LogP0.06
Rot. Bonds5

About ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate

ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate (PubChem CID 58166409) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate
PubChem CID58166409
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Nameethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate
SMILESCCOC(=O)C(OCC)n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O4/c1-3-17-8(9(15)18-4-2)14-5-6(11)7(12)13-10(14)16/h5,8H,3-4H2,1-2H3,(H2,12,13,16)
InChIKeyLBAUWAFSEXRALC-UHFFFAOYSA-N
XLogP0.06
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate?
The IUPAC name of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate (CID 58166409) is ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate.
What is the SMILES notation for ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate?
The canonical SMILES for ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate is CCOC(=O)C(OCC)n1cc(F)c(N)nc1=O.
What is the InChIKey of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate?
The InChIKey is LBAUWAFSEXRALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4/c1-3-17-8(9(15)18-4-2)14-5-6(11)7(12)13-10(14)16/h5,8H,3-4H2,1-2H3,(H2,12,13,16).
What are the key properties of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate?
ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate has a molecular weight of 259.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate is sourced from PubChem (CID 58166409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).