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

C16H32N4O2 — CID 103397868

IUPACtert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)CC(C)(C)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-15(2,3)22-14(21)20-9-8-17-13(10-20)18-11-16(4,5)12-19(6)7/h8-12H2,1-7H3,(H,17,18)
InChIKeyQPQXPPSBOUXVOS-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.81
Rot. Bonds4

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

tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397868) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397868
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)CC(C)(C)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-15(2,3)22-14(21)20-9-8-17-13(10-20)18-11-16(4,5)12-19(6)7/h8-12H2,1-7H3,(H,17,18)
InChIKeyQPQXPPSBOUXVOS-UHFFFAOYSA-N
XLogP1.81
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.81
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-(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 2-(4,5-dihydro-1H-imidazol-2-yl)ethylcarbamate
CID 58381361
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 N-[3-(1-aminoethylideneamino)propyl]-N-[3-[3-(1-aminoethylideneamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate
CID 54757820
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397868) is tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN(C)CC(C)(C)CNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is QPQXPPSBOUXVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-15(2,3)22-14(21)20-9-8-17-13(10-20)18-11-16(4,5)12-19(6)7/h8-12H2,1-7H3,(H,17,18).
What are the key properties of tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 312.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).