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

C14H18F3N3O3 — CID 128978654

IUPAC[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCOCC1CN(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
InChIKeyXSCAYVHXHFUPFP-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.76
Rot. Bonds3

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

[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 128978654) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID128978654
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCOCC1CN(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
InChIKeyXSCAYVHXHFUPFP-UHFFFAOYSA-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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Related Compounds

(2R*,6S*)-4-[(2-ethyl-5-pyrimidinyl)carbonyl]-2,6-dimethylmorpholine
CID 72861818
N,2-diethyl-N-(2-methoxyethyl)-5-pyrimidinecarboxamide
CID 72871529
Morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97190610
7-Oxa-4-azaspiro[2.5]octan-4-yl(pyrimidin-5-yl)methanone
CID 128292085
(4-Aminopiperidin-1-yl)-[4-(2-ethoxyethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625165
1-[4-Morpholin-4-yl-2-(trifluoromethyl)pyrimidin-5-yl]ethanone
CID 126497941
1-[2-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 141126379
N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 141257621
2-Methoxy-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 169598936
N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 175063505
(2-Chloropyrimidin-5-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 178097686

Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 128978654) is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is COCC1CN(C(=O)c2cnc(C(F)(F)F)nc2)CC(C)(C)O1.
What is the InChIKey of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is XSCAYVHXHFUPFP-UHFFFAOYSA-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.
What are the key properties of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
[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 [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 128978654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).