ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate

C11H16FN3O2 — CID 103907746

IUPACethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncnc(CC)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-8-10(12)11(14-7-13-8)15(3)6-9(16)17-5-2/h7H,4-6H2,1-3H3
InChIKeyURQXKWZLHZGTOY-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.18
Rot. Bonds5

About ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate

ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate (PubChem CID 103907746) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate
PubChem CID103907746
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nameethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncnc(CC)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-8-10(12)11(14-7-13-8)15(3)6-9(16)17-5-2/h7H,4-6H2,1-3H3
InChIKeyURQXKWZLHZGTOY-UHFFFAOYSA-N
XLogP1.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate (CID 103907746) is ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate is CCOC(=O)CN(C)c1ncnc(CC)c1F.
What is the InChIKey of ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
The InChIKey is URQXKWZLHZGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-4-8-10(12)11(14-7-13-8)15(3)6-9(16)17-5-2/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate has a molecular weight of 241.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 103907746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).