5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine

C15H26N4 — CID 103056836

IUPAC5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CN2CCC(C(C)(C)C)C2)cn1
InChIInChI=1S/C15H26N4/c1-5-16-14-9-17-13(8-18-14)11-19-7-6-12(10-19)15(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,16,18)
InChIKeyMRGGQQVEUSEEOF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds4

About 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine

5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine (PubChem CID 103056836) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
PubChem CID103056836
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CN2CCC(C(C)(C)C)C2)cn1
InChIInChI=1S/C15H26N4/c1-5-16-14-9-17-13(8-18-14)11-19-7-6-12(10-19)15(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,16,18)
InChIKeyMRGGQQVEUSEEOF-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-tert-butylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061199
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103056396
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056522
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
N-ethyl-5-[(3-propoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056216
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103056765
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 103056326
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103056725
7-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056617

Frequently Asked Questions

What is the IUPAC name of 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine (CID 103056836) is 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(CN2CCC(C(C)(C)C)C2)cn1.
What is the InChIKey of 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine?
The InChIKey is MRGGQQVEUSEEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-16-14-9-17-13(8-18-14)11-19-7-6-12(10-19)15(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,16,18).
What are the key properties of 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine?
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103056836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).