ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate

C11H16FN3O2 — CID 103853582

IUPACethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ncnc(C)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-15(6-9(16)17-5-2)11-10(12)8(3)13-7-14-11/h7H,4-6H2,1-3H3
InChIKeyYNJZZWLEVSLEBQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.31
Rot. Bonds5

About ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate

ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate (PubChem CID 103853582) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate
PubChem CID103853582
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nameethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ncnc(C)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-15(6-9(16)17-5-2)11-10(12)8(3)13-7-14-11/h7H,4-6H2,1-3H3
InChIKeyYNJZZWLEVSLEBQ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate (CID 103853582) is ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate is CCOC(=O)CN(CC)c1ncnc(C)c1F.
What is the InChIKey of ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is YNJZZWLEVSLEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-4-15(6-9(16)17-5-2)11-10(12)8(3)13-7-14-11/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate?
ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 241.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 103853582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).