methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate

C13H20FN3O3 — CID 103880338

IUPACmethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate
SMILESCCc1ncnc(N(CCOC)CCC(=O)OC)c1F
InChIInChI=1S/C13H20FN3O3/c1-4-10-12(14)13(16-9-15-10)17(7-8-19-2)6-5-11(18)20-3/h9H,4-8H2,1-3H3
InChIKeyCAKIYGBSHGJMHG-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.19
Rot. Bonds8

About methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate (PubChem CID 103880338) has the molecular formula C13H20FN3O3 and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate
PubChem CID103880338
Molecular FormulaC13H20FN3O3
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC Namemethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate
SMILESCCc1ncnc(N(CCOC)CCC(=O)OC)c1F
InChIInChI=1S/C13H20FN3O3/c1-4-10-12(14)13(16-9-15-10)17(7-8-19-2)6-5-11(18)20-3/h9H,4-8H2,1-3H3
InChIKeyCAKIYGBSHGJMHG-UHFFFAOYSA-N
XLogP1.19
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate (CID 103880338) is methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate is CCc1ncnc(N(CCOC)CCC(=O)OC)c1F.
What is the InChIKey of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is CAKIYGBSHGJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3/c1-4-10-12(14)13(16-9-15-10)17(7-8-19-2)6-5-11(18)20-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 285.32 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 103880338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).