4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine

C11H15ClFN3O2 — CID 172608401

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine
SMILESCOCC1(C)CN(c2nc(Cl)ncc2F)CCO1
InChIInChI=1S/C11H15ClFN3O2/c1-11(7-17-2)6-16(3-4-18-11)9-8(13)5-14-10(12)15-9/h5H,3-4,6-7H2,1-2H3
InChIKeyYTAFSBLIXPAPKW-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.51
Rot. Bonds3

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine (PubChem CID 172608401) has the molecular formula C11H15ClFN3O2 and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine
PubChem CID172608401
Molecular FormulaC11H15ClFN3O2
Molecular Weight275.71 g/mol
Exact Mass275.08
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine
SMILESCOCC1(C)CN(c2nc(Cl)ncc2F)CCO1
InChIInChI=1S/C11H15ClFN3O2/c1-11(7-17-2)6-16(3-4-18-11)9-8(13)5-14-10(12)15-9/h5H,3-4,6-7H2,1-2H3
InChIKeyYTAFSBLIXPAPKW-UHFFFAOYSA-N
XLogP1.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine (CID 172608401) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine is COCC1(C)CN(c2nc(Cl)ncc2F)CCO1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine?
The InChIKey is YTAFSBLIXPAPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O2/c1-11(7-17-2)6-16(3-4-18-11)9-8(13)5-14-10(12)15-9/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine has a molecular weight of 275.71 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine is sourced from PubChem (CID 172608401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).