2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone

C20H25N3O2 — CID 124969498

IUPAC2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1cc(CC[C@H]2CN(C(=O)Cc3ccccc3C)CCO2)ncn1
InChIInChI=1S/C20H25N3O2/c1-15-5-3-4-6-17(15)12-20(24)23-9-10-25-19(13-23)8-7-18-11-16(2)21-14-22-18/h3-6,11,14,19H,7-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyJJIVHRBVCGNHCN-IBGZPJMESA-N
MW339.44 g/mol
LogP2.50
Rot. Bonds5

About 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone

2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone (PubChem CID 124969498) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
PubChem CID124969498
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1cc(CC[C@H]2CN(C(=O)Cc3ccccc3C)CCO2)ncn1
InChIInChI=1S/C20H25N3O2/c1-15-5-3-4-6-17(15)12-20(24)23-9-10-25-19(13-23)8-7-18-11-16(2)21-14-22-18/h3-6,11,14,19H,7-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyJJIVHRBVCGNHCN-IBGZPJMESA-N
XLogP2.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
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
1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125019079
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
CID 124948479
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124960361
4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
CID 110116467

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone (CID 124969498) is 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone is Cc1cc(CC[C@H]2CN(C(=O)Cc3ccccc3C)CCO2)ncn1.
What is the InChIKey of 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
The InChIKey is JJIVHRBVCGNHCN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-5-3-4-6-17(15)12-20(24)23-9-10-25-19(13-23)8-7-18-11-16(2)21-14-22-18/h3-6,11,14,19H,7-10,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 124969498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).