[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

C20H25N3O3 — CID 125002887

IUPAC[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-11-18(22-14-21-15)7-8-19-12-23(9-10-26-19)20(24)17-5-3-16(4-6-17)13-25-2/h3-6,11,14,19H,7-10,12-13H2,1-2H3/t19-/m1/s1
InChIKeySNNXKXBIFFKHNH-LJQANCHMSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds6

About [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 125002887) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
PubChem CID125002887
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-11-18(22-14-21-15)7-8-19-12-23(9-10-26-19)20(24)17-5-3-16(4-6-17)13-25-2/h3-6,11,14,19H,7-10,12-13H2,1-2H3/t19-/m1/s1
InChIKeySNNXKXBIFFKHNH-LJQANCHMSA-N
XLogP2.41
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125000995
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143
[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124960361
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
The IUPAC name of [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone (CID 125002887) is [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone is COCc1ccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
The InChIKey is SNNXKXBIFFKHNH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-11-18(22-14-21-15)7-8-19-12-23(9-10-26-19)20(24)17-5-3-16(4-6-17)13-25-2/h3-6,11,14,19H,7-10,12-13H2,1-2H3/t19-/m1/s1.
What are the key properties of [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 125002887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).