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

C21H25N3O2 — CID 124940249

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCO[C@H](CCc2ccncn2)C1
InChIInChI=1S/C21H25N3O2/c25-21(13-16-4-5-17-2-1-3-18(17)12-16)24-10-11-26-20(14-24)7-6-19-8-9-22-15-23-19/h4-5,8-9,12,15,20H,1-3,6-7,10-11,13-14H2/t20-/m1/s1
InChIKeyAEZRYWZRQOTVPK-HXUWFJFHSA-N
MW351.45 g/mol
LogP2.37
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone (PubChem CID 124940249) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
PubChem CID124940249
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCO[C@H](CCc2ccncn2)C1
InChIInChI=1S/C21H25N3O2/c25-21(13-16-4-5-17-2-1-3-18(17)12-16)24-10-11-26-20(14-24)7-6-19-8-9-22-15-23-19/h4-5,8-9,12,15,20H,1-3,6-7,10-11,13-14H2/t20-/m1/s1
InChIKeyAEZRYWZRQOTVPK-HXUWFJFHSA-N
XLogP2.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125005930
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
[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
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116424
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone (CID 124940249) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone is O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@H](CCc2ccncn2)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
The InChIKey is AEZRYWZRQOTVPK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(13-16-4-5-17-2-1-3-18(17)12-16)24-10-11-26-20(14-24)7-6-19-8-9-22-15-23-19/h4-5,8-9,12,15,20H,1-3,6-7,10-11,13-14H2/t20-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.37, 5 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-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 124940249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).