2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine

C13H21N3O2 — CID 117061428

IUPAC2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine
SMILESCC(CN1CC(C)OC(C)C1)Oc1ccncn1
InChIInChI=1S/C13H21N3O2/c1-10-6-16(7-11(2)17-10)8-12(3)18-13-4-5-14-9-15-13/h4-5,9-12H,6-8H2,1-3H3
InChIKeyJSEMAXXJIHSEHP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.35
Rot. Bonds4

About 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine

2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine (PubChem CID 117061428) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine
PubChem CID117061428
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine
SMILESCC(CN1CC(C)OC(C)C1)Oc1ccncn1
InChIInChI=1S/C13H21N3O2/c1-10-6-16(7-11(2)17-10)8-12(3)18-13-4-5-14-9-15-13/h4-5,9-12H,6-8H2,1-3H3
InChIKeyJSEMAXXJIHSEHP-UHFFFAOYSA-N
XLogP1.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine (CID 117061428) is 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine is CC(CN1CC(C)OC(C)C1)Oc1ccncn1.
What is the InChIKey of 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine?
The InChIKey is JSEMAXXJIHSEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-6-16(7-11(2)17-10)8-12(3)18-13-4-5-14-9-15-13/h4-5,9-12H,6-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine?
2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine has a molecular weight of 251.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine is sourced from PubChem (CID 117061428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).