2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 136822012

IUPAC2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9-14-10(6-11(17)15-9)16-7-12(2,3)18-13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15,17)
InChIKeyRETLJPIBLZCKHU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds1

About 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136822012) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136822012
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9-14-10(6-11(17)15-9)16-7-12(2,3)18-13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15,17)
InChIKeyRETLJPIBLZCKHU-UHFFFAOYSA-N
XLogP1.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136822012) is 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is Cc1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is RETLJPIBLZCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-14-10(6-11(17)15-9)16-7-12(2,3)18-13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15,17).
What are the key properties of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136822012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).