tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H32N4O2 — CID 103398096

IUPACtert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)CC(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-7-19(8-2)11-13(3)18-14-12-20(10-9-17-14)15(21)22-16(4,5)6/h13H,7-12H2,1-6H3,(H,17,18)
InChIKeyIQDYQCGAWQFWDT-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398096) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398096
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)CC(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-7-19(8-2)11-13(3)18-14-12-20(10-9-17-14)15(21)22-16(4,5)6/h13H,7-12H2,1-6H3,(H,17,18)
InChIKeyIQDYQCGAWQFWDT-UHFFFAOYSA-N
XLogP1.96
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(3,3,3-trifluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398141
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-[1-(ethynylamino)-1-methyliminopropan-2-yl]-N-propylcarbamate
CID 91277949
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
CID 123848410
tert-butyl 6-amino-1-(N'-methylcarbamimidoyl)-3,5-dihydro-2H-pyrazin-1-ium-4-carboxylate
CID 142547128
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]carbamate
CID 156662452
tert-butyl (2S)-2-[N-[(2R)-butan-2-yl]-N'-ethylcarbamimidoyl]pyrrolidine-1-carboxylate
CID 163739249

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398096) is tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN(CC)CC(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is IQDYQCGAWQFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-7-19(8-2)11-13(3)18-14-12-20(10-9-17-14)15(21)22-16(4,5)6/h13H,7-12H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 312.46 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(diethylamino)propan-2-ylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).