3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one

C13H24N4O — CID 64549067

IUPAC3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
SMILESCCC(C)(CN)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C13H24N4O/c1-6-13(5,9-14)16-10-11(18)17(8-7-15-10)12(2,3)4/h7-8H,6,9,14H2,1-5H3,(H,15,16)
InChIKeyLJSZELROWQYQAY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.54
Rot. Bonds4

About 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one

3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one (PubChem CID 64549067) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
PubChem CID64549067
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
SMILESCCC(C)(CN)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C13H24N4O/c1-6-13(5,9-14)16-10-11(18)17(8-7-15-10)12(2,3)4/h7-8H,6,9,14H2,1-5H3,(H,15,16)
InChIKeyLJSZELROWQYQAY-UHFFFAOYSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 63194330
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 62939947
3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one
CID 106165626
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 114174313
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
3-[(1-chloro-2-methylbutan-2-yl)amino]-1-methylpyrazin-2-one
CID 65028349
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one (CID 64549067) is 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one is CCC(C)(CN)Nc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one?
The InChIKey is LJSZELROWQYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-13(5,9-14)16-10-11(18)17(8-7-15-10)12(2,3)4/h7-8H,6,9,14H2,1-5H3,(H,15,16).
What are the key properties of 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one?
3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 64549067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).