[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone

C18H22N4O2 — CID 109276475

IUPAC[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1cccc(C)c1Nc1cnc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C18H22N4O2/c1-3-14-6-4-5-13(2)17(14)21-16-12-19-15(11-20-16)18(23)22-7-9-24-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,21)
InChIKeyCGCJSDRCZIQSMP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.56
Rot. Bonds4

About [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone

[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 109276475) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID109276475
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1cccc(C)c1Nc1cnc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C18H22N4O2/c1-3-14-6-4-5-13(2)17(14)21-16-12-19-15(11-20-16)18(23)22-7-9-24-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,21)
InChIKeyCGCJSDRCZIQSMP-UHFFFAOYSA-N
XLogP2.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117277
[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274363
1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
CID 109276512
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
morpholin-4-yl-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109276540
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone (CID 109276475) is [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone is CCc1cccc(C)c1Nc1cnc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CGCJSDRCZIQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-14-6-4-5-13(2)17(14)21-16-12-19-15(11-20-16)18(23)22-7-9-24-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,21).
What are the key properties of [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone?
[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109276475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).