1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone

C20H20N4O2 — CID 110112851

IUPAC1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
SMILESNc1nccnc1C1CN(C(=O)Cc2ccc3ccccc3c2)CCO1
InChIInChI=1S/C20H20N4O2/c21-20-19(22-7-8-23-20)17-13-24(9-10-26-17)18(25)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11,17H,9-10,12-13H2,(H2,21,23)
InChIKeyCRMRICLXYCRRKW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.35
Rot. Bonds3

About 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone

1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone (PubChem CID 110112851) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
PubChem CID110112851
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
SMILESNc1nccnc1C1CN(C(=O)Cc2ccc3ccccc3c2)CCO1
InChIInChI=1S/C20H20N4O2/c21-20-19(22-7-8-23-20)17-13-24(9-10-26-17)18(25)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11,17H,9-10,12-13H2,(H2,21,23)
InChIKeyCRMRICLXYCRRKW-UHFFFAOYSA-N
XLogP2.35
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 125015943
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 81196890
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 125003929
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941213
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone (CID 110112851) is 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone is Nc1nccnc1C1CN(C(=O)Cc2ccc3ccccc3c2)CCO1.
What is the InChIKey of 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
The InChIKey is CRMRICLXYCRRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20-19(22-7-8-23-20)17-13-24(9-10-26-17)18(25)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11,17H,9-10,12-13H2,(H2,21,23).
What are the key properties of 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone has a molecular weight of 348.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 110112851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).