2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one

C13H21N3O3 — CID 136989146

IUPAC2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(CO)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-4-10-14-11(5-12(18)15-10)16-6-9(7-17)19-13(2,3)8-16/h5,9,17H,4,6-8H2,1-3H3,(H,14,15,18)
InChIKeyXAYYNILTAHTDIQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.31
Rot. Bonds3

About 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one

2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136989146) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136989146
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(CO)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-4-10-14-11(5-12(18)15-10)16-6-9(7-17)19-13(2,3)8-16/h5,9,17H,4,6-8H2,1-3H3,(H,14,15,18)
InChIKeyXAYYNILTAHTDIQ-UHFFFAOYSA-N
XLogP0.31
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 136989146) is 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one is CCc1nc(N2CC(CO)OC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is XAYYNILTAHTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-10-14-11(5-12(18)15-10)16-6-9(7-17)19-13(2,3)8-16/h5,9,17H,4,6-8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).