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

C13H24N4O3 — CID 103398023

IUPACtert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N4O3/c1-9(11(18)14-5)16-10-8-17(7-6-15-10)12(19)20-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16)
InChIKeyZIYGYPSSJNKRKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.36
Rot. Bonds2

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

tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398023) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398023
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Nametert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N4O3/c1-9(11(18)14-5)16-10-8-17(7-6-15-10)12(19)20-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16)
InChIKeyZIYGYPSSJNKRKV-UHFFFAOYSA-N
XLogP0.36
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl N-[2-[2,5-dicarbamoyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,6-bis(propylimino)piperazin-1-yl]ethyl]carbamate
CID 91419927
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate
CID 162737218
tert-butyl N-[(2S)-1-oxo-1-(propanimidoylamino)propan-2-yl]carbamate
CID 176413976
tert-butyl N-[(2S)-1-[1-(dimethylamino)ethylideneamino]-1-oxopropan-2-yl]carbamate
CID 176414213
tert-butyl N-[(2S)-1-(1-aminopropylideneamino)-1-oxopropan-2-yl]carbamate
CID 177145736
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397850
tert-butyl 6-(2-methylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397851

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398023) is tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ZIYGYPSSJNKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9(11(18)14-5)16-10-8-17(7-6-15-10)12(19)20-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16).
What are the key properties of tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).