tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H26N4O3 — CID 106345947

IUPACtert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)C(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(N)=O
InChIInChI=1S/C14H26N4O3/c1-9(2)11(12(15)19)17-10-8-18(7-6-16-10)13(20)21-14(3,4)5/h9,11H,6-8H2,1-5H3,(H2,15,19)(H,16,17)
InChIKeyVSMVEGLWJGCFPQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.74
Rot. Bonds3

About tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106345947) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106345947
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)C(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(N)=O
InChIInChI=1S/C14H26N4O3/c1-9(2)11(12(15)19)17-10-8-18(7-6-16-10)13(20)21-14(3,4)5/h9,11H,6-8H2,1-5H3,(H2,15,19)(H,16,17)
InChIKeyVSMVEGLWJGCFPQ-UHFFFAOYSA-N
XLogP0.74
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-[(2S)-2-(N'-methylcarbamimidoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 129144344
tert-butyl N-[1-[3-imino-4-(3-methylbutanimidoyl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 145223522
tert-butyl 4-[N,N-dimethyl-N'-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamimidoyl]piperazine-1-carboxylate
CID 151665903
methyl N-[(2S)-3-methyl-1-[methyl-[1-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]ethyl]amino]-1-oxobutan-2-yl]carbamate
CID 161818676
tert-butyl N-[(2S)-1-[1-(dimethylamino)ethylideneamino]-1-oxopropan-2-yl]carbamate
CID 176414213
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
tert-butyl 6-(pentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397863
tert-butyl 6-(3-methylbutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397874
tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397904
tert-butyl 6-[[2-(methylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397910
tert-butyl 6-[[2-(dimethylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397911

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106345947) is tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)C(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(N)=O.
What is the InChIKey of tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is VSMVEGLWJGCFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)11(12(15)19)17-10-8-18(7-6-16-10)13(20)21-14(3,4)5/h9,11H,6-8H2,1-5H3,(H2,15,19)(H,16,17).
What are the key properties of tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106345947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).