ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate

C11H16FN3O2 — CID 103794470

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

About ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate

ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate (PubChem CID 103794470) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate
PubChem CID103794470
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nameethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncnc(C)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-17-9(16)5-6-15(3)11-10(12)8(2)13-7-14-11/h7H,4-6H2,1-3H3
InChIKeyNGUOANCQFLFAJK-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 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate (CID 103794470) is ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate is CCOC(=O)CCN(C)c1ncnc(C)c1F.
What is the InChIKey of ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate?
The InChIKey is NGUOANCQFLFAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-4-17-9(16)5-6-15(3)11-10(12)8(2)13-7-14-11/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate?
ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate 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 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate is sourced from PubChem (CID 103794470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).