2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone

C20H23N3O2 — CID 124941214

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
SMILESCc1nccc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1
InChIInChI=1S/C20H23N3O2/c1-14-21-8-7-18(22-14)19-13-23(9-10-25-19)20(24)12-15-5-6-16-3-2-4-17(16)11-15/h5-8,11,19H,2-4,9-10,12-13H2,1H3/t19-/m1/s1
InChIKeyALKMBIXAMWDTHA-LJQANCHMSA-N
MW337.42 g/mol
LogP2.42
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone (PubChem CID 124941214) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
PubChem CID124941214
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
SMILESCc1nccc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1
InChIInChI=1S/C20H23N3O2/c1-14-21-8-7-18(22-14)19-13-23(9-10-25-19)20(24)12-15-5-6-16-3-2-4-17(16)11-15/h5-8,11,19H,2-4,9-10,12-13H2,1H3/t19-/m1/s1
InChIKeyALKMBIXAMWDTHA-LJQANCHMSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941213
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105208
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124961996
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125009284
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone (CID 124941214) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone is Cc1nccc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone?
The InChIKey is ALKMBIXAMWDTHA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-21-8-7-18(22-14)19-13-23(9-10-25-19)20(24)12-15-5-6-16-3-2-4-17(16)11-15/h5-8,11,19H,2-4,9-10,12-13H2,1H3/t19-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 124941214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).