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

C19H23N3O3 — CID 129484526

IUPAC[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2cncnc2-c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C19H23N3O3/c1-19(2)12-22(10-15(25-19)11-24-3)18(23)16-9-20-13-21-17(16)14-7-5-4-6-8-14/h4-9,13,15H,10-12H2,1-3H3/t15-/m1/s1
InChIKeyFXGAOTDABJUWIL-OAHLLOKOSA-N
MW341.41 g/mol
LogP2.41
Rot. Bonds4

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

[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone (PubChem CID 129484526) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone
PubChem CID129484526
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2cncnc2-c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C19H23N3O3/c1-19(2)12-22(10-15(25-19)11-24-3)18(23)16-9-20-13-21-17(16)14-7-5-4-6-8-14/h4-9,13,15H,10-12H2,1-3H3/t15-/m1/s1
InChIKeyFXGAOTDABJUWIL-OAHLLOKOSA-N
XLogP2.41
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.41
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]-(4-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone (CID 129484526) is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone is COC[C@H]1CN(C(=O)c2cncnc2-c2ccccc2)CC(C)(C)O1.
What is the InChIKey of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone?
The InChIKey is FXGAOTDABJUWIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2)12-22(10-15(25-19)11-24-3)18(23)16-9-20-13-21-17(16)14-7-5-4-6-8-14/h4-9,13,15H,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone?
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.41, 4 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]-(4-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 129484526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).