methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate

C10H13FN2O2S — CID 75437927

IUPACmethyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate
SMILESCCc1ncnc(SCCC(=O)OC)c1F
InChIInChI=1S/C10H13FN2O2S/c1-3-7-9(11)10(13-6-12-7)16-5-4-8(14)15-2/h6H,3-5H2,1-2H3
InChIKeyUFLKKTJUXPAEGO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds5

About methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate

methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate (PubChem CID 75437927) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate
PubChem CID75437927
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Namemethyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate
SMILESCCc1ncnc(SCCC(=O)OC)c1F
InChIInChI=1S/C10H13FN2O2S/c1-3-7-9(11)10(13-6-12-7)16-5-4-8(14)15-2/h6H,3-5H2,1-2H3
InChIKeyUFLKKTJUXPAEGO-UHFFFAOYSA-N
XLogP1.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate?
The IUPAC name of methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate (CID 75437927) is methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate is CCc1ncnc(SCCC(=O)OC)c1F.
What is the InChIKey of methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate?
The InChIKey is UFLKKTJUXPAEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-3-7-9(11)10(13-6-12-7)16-5-4-8(14)15-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate?
methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropanoate is sourced from PubChem (CID 75437927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).