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

C14H26N4O3 — CID 103398025

IUPACtert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C
InChIInChI=1S/C14H26N4O3/c1-10(12(19)17(5)6)16-11-9-18(8-7-15-11)13(20)21-14(2,3)4/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyRKMHPYJVVZMNET-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.70
Rot. Bonds2

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

tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398025) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398025
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C
InChIInChI=1S/C14H26N4O3/c1-10(12(19)17(5)6)16-11-9-18(8-7-15-11)13(20)21-14(2,3)4/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyRKMHPYJVVZMNET-UHFFFAOYSA-N
XLogP0.70
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[[1-(dimethylamino)-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-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398025) is tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C.
What is the InChIKey of tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is RKMHPYJVVZMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10(12(19)17(5)6)16-11-9-18(8-7-15-11)13(20)21-14(2,3)4/h10H,7-9H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).