[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

C14H18F3N3O3 — CID 129351209

IUPAC[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCOC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CC(C)(C)O1
InChIInChI=1S/C14H18F3N3O3/c1-13(2)8-20(6-10(23-13)7-22-3)11(21)9-4-18-12(19-5-9)14(15,16)17/h4-5,10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyXSCAYVHXHFUPFP-SNVBAGLBSA-N
MW333.31 g/mol
LogP1.76
Rot. Bonds3

About [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 129351209) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID129351209
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCOC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CC(C)(C)O1
InChIInChI=1S/C14H18F3N3O3/c1-13(2)8-20(6-10(23-13)7-22-3)11(21)9-4-18-12(19-5-9)14(15,16)17/h4-5,10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyXSCAYVHXHFUPFP-SNVBAGLBSA-N
XLogP1.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 129351209) is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is COC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CC(C)(C)O1.
What is the InChIKey of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is XSCAYVHXHFUPFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-13(2)8-20(6-10(23-13)7-22-3)11(21)9-4-18-12(19-5-9)14(15,16)17/h4-5,10H,6-8H2,1-3H3/t10-/m1/s1.
What are the key properties of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 333.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 129351209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).