2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 176665198

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(c2nc(C(C)C)cc(=O)[nH]2)CC(C)O1
InChIInChI=1S/C13H21N3O2/c1-8(2)11-5-12(17)15-13(14-11)16-6-9(3)18-10(4)7-16/h5,8-10H,6-7H2,1-4H3,(H,14,15,17)
InChIKeyNVGJNKQNGNVDIN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 176665198) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID176665198
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(c2nc(C(C)C)cc(=O)[nH]2)CC(C)O1
InChIInChI=1S/C13H21N3O2/c1-8(2)11-5-12(17)15-13(14-11)16-6-9(3)18-10(4)7-16/h5,8-10H,6-7H2,1-4H3,(H,14,15,17)
InChIKeyNVGJNKQNGNVDIN-UHFFFAOYSA-N
XLogP1.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 176665198) is 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CC1CN(c2nc(C(C)C)cc(=O)[nH]2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NVGJNKQNGNVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)11-5-12(17)15-13(14-11)16-6-9(3)18-10(4)7-16/h5,8-10H,6-7H2,1-4H3,(H,14,15,17).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 176665198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).