4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine

C11H15BrClN3O — CID 79075990

IUPAC4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nc(Cl)ncc1Br
InChIInChI=1S/C11H15BrClN3O/c1-3-8-6-17-7(2)5-16(8)10-9(12)4-14-11(13)15-10/h4,7-8H,3,5-6H2,1-2H3
InChIKeyNUXLQVNODOXJLD-UHFFFAOYSA-N
MW320.62 g/mol
LogP2.90
Rot. Bonds2

About 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine

4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine (PubChem CID 79075990) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
PubChem CID79075990
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nc(Cl)ncc1Br
InChIInChI=1S/C11H15BrClN3O/c1-3-8-6-17-7(2)5-16(8)10-9(12)4-14-11(13)15-10/h4,7-8H,3,5-6H2,1-2H3
InChIKeyNUXLQVNODOXJLD-UHFFFAOYSA-N
XLogP2.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine (CID 79075990) is 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1nc(Cl)ncc1Br.
What is the InChIKey of 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
The InChIKey is NUXLQVNODOXJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-3-8-6-17-7(2)5-16(8)10-9(12)4-14-11(13)15-10/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine has a molecular weight of 320.62 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 79075990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).