ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate

C11H16FN3O2 — CID 103879986

IUPACethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncnc(CC)c1F
InChIInChI=1S/C11H16FN3O2/c1-3-8-10(12)11(15-7-14-8)13-6-5-9(16)17-4-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAHUCRFVRTRZYMD-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.54
Rot. Bonds6

About ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate

ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate (PubChem CID 103879986) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate
PubChem CID103879986
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nameethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncnc(CC)c1F
InChIInChI=1S/C11H16FN3O2/c1-3-8-10(12)11(15-7-14-8)13-6-5-9(16)17-4-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAHUCRFVRTRZYMD-UHFFFAOYSA-N
XLogP1.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate (CID 103879986) is ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate is CCOC(=O)CCNc1ncnc(CC)c1F.
What is the InChIKey of ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
The InChIKey is AHUCRFVRTRZYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-3-8-10(12)11(15-7-14-8)13-6-5-9(16)17-4-2/h7H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate has a molecular weight of 241.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 103879986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).