3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one

C15H28N4O — CID 62939654

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(C)(C)CN(C)C)c1=O
InChIInChI=1S/C15H28N4O/c1-12(2)9-19-8-7-16-13(14(19)20)17-10-15(3,4)11-18(5)6/h7-8,12H,9-11H2,1-6H3,(H,16,17)
InChIKeyHFENRGDYLBPYPB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.90
Rot. Bonds7

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one

3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62939654) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62939654
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(C)(C)CN(C)C)c1=O
InChIInChI=1S/C15H28N4O/c1-12(2)9-19-8-7-16-13(14(19)20)17-10-15(3,4)11-18(5)6/h7-8,12H,9-11H2,1-6H3,(H,16,17)
InChIKeyHFENRGDYLBPYPB-UHFFFAOYSA-N
XLogP1.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
CID 55157178
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929520
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one (CID 62939654) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC(C)(C)CN(C)C)c1=O.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is HFENRGDYLBPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)9-19-8-7-16-13(14(19)20)17-10-15(3,4)11-18(5)6/h7-8,12H,9-11H2,1-6H3,(H,16,17).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 280.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62939654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).