ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate

C10H13FN2O4 — CID 81297791

IUPACethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H13FN2O4/c1-4-17-9(15)8(11)13-7(14)5-6(2)12-10(13)16-3/h5,8H,4H2,1-3H3
InChIKeyLZEUXDARGYSKOI-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.59
Rot. Bonds4

About ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate

ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 81297791) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
PubChem CID81297791
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H13FN2O4/c1-4-17-9(15)8(11)13-7(14)5-6(2)12-10(13)16-3/h5,8H,4H2,1-3H3
InChIKeyLZEUXDARGYSKOI-UHFFFAOYSA-N
XLogP0.59
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate (CID 81297791) is ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate is CCOC(=O)C(F)n1c(OC)nc(C)cc1=O.
What is the InChIKey of ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is LZEUXDARGYSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-4-17-9(15)8(11)13-7(14)5-6(2)12-10(13)16-3/h5,8H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 244.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 81297791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).