4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine

C11H16ClN3O — CID 62482337

IUPAC4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
SMILESCCC1CN(c2cc(Cl)nc(C)n2)CCO1
InChIInChI=1S/C11H16ClN3O/c1-3-9-7-15(4-5-16-9)11-6-10(12)13-8(2)14-11/h6,9H,3-5,7H2,1-2H3
InChIKeyXHFUJIZPVJITKZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds2

About 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine

4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine (PubChem CID 62482337) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
PubChem CID62482337
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
SMILESCCC1CN(c2cc(Cl)nc(C)n2)CCO1
InChIInChI=1S/C11H16ClN3O/c1-3-9-7-15(4-5-16-9)11-6-10(12)13-8(2)14-11/h6,9H,3-5,7H2,1-2H3
InChIKeyXHFUJIZPVJITKZ-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine?
The IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine (CID 62482337) is 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine?
The canonical SMILES for 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine is CCC1CN(c2cc(Cl)nc(C)n2)CCO1.
What is the InChIKey of 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine?
The InChIKey is XHFUJIZPVJITKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-9-7-15(4-5-16-9)11-6-10(12)13-8(2)14-11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine?
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine is sourced from PubChem (CID 62482337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).