(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone

C13H20N4O — CID 107375601

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCCC2(C)C)cn1
InChIInChI=1S/C13H20N4O/c1-4-14-11-9-15-10(8-16-11)12(18)17-7-5-6-13(17,2)3/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyDSIMTQQUFSRTNU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds3

About (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone (PubChem CID 107375601) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
PubChem CID107375601
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCCC2(C)C)cn1
InChIInChI=1S/C13H20N4O/c1-4-14-11-9-15-10(8-16-11)12(18)17-7-5-6-13(17,2)3/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyDSIMTQQUFSRTNU-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641276
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375243
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035914
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375674
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone (CID 107375601) is (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone is CCNc1cnc(C(=O)N2CCCC2(C)C)cn1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
The InChIKey is DSIMTQQUFSRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-14-11-9-15-10(8-16-11)12(18)17-7-5-6-13(17,2)3/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).