methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate

C11H13FN2O3 — CID 175065862

IUPACmethyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate
SMILESCOC(=O)C1(c2ccnc(F)n2)CCOCC1
InChIInChI=1S/C11H13FN2O3/c1-16-9(15)11(3-6-17-7-4-11)8-2-5-13-10(12)14-8/h2,5H,3-4,6-7H2,1H3
InChIKeyJFOJSUKUBYUDIQ-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.84
Rot. Bonds2

About methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate

methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate (PubChem CID 175065862) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate
PubChem CID175065862
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Namemethyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate
SMILESCOC(=O)C1(c2ccnc(F)n2)CCOCC1
InChIInChI=1S/C11H13FN2O3/c1-16-9(15)11(3-6-17-7-4-11)8-2-5-13-10(12)14-8/h2,5H,3-4,6-7H2,1H3
InChIKeyJFOJSUKUBYUDIQ-UHFFFAOYSA-N
XLogP0.84
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate?
The IUPAC name of methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate (CID 175065862) is methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate?
The canonical SMILES for methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate is COC(=O)C1(c2ccnc(F)n2)CCOCC1.
What is the InChIKey of methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate?
The InChIKey is JFOJSUKUBYUDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-16-9(15)11(3-6-17-7-4-11)8-2-5-13-10(12)14-8/h2,5H,3-4,6-7H2,1H3.
What are the key properties of methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate?
methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate has a molecular weight of 240.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoropyrimidin-4-yl)oxane-4-carboxylate is sourced from PubChem (CID 175065862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).