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

C16H30N4O3 — CID 103397963

IUPACtert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)C(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O3/c1-6-19(7-2)14(21)8-9-17-13-12-20(11-10-18-13)15(22)23-16(3,4)5/h6-12H2,1-5H3,(H,17,18)
InChIKeyBBYPLGYKAGPPCN-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.48
Rot. Bonds5

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

tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397963) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397963
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)C(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O3/c1-6-19(7-2)14(21)8-9-17-13-12-20(11-10-18-13)15(22)23-16(3,4)5/h6-12H2,1-5H3,(H,17,18)
InChIKeyBBYPLGYKAGPPCN-UHFFFAOYSA-N
XLogP1.48
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.48
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 N-[3-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl-[3-(methylamino)propyl]amino]-3-oxopropyl]carbamate
CID 156662442
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-(2-methylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397851
tert-butyl 6-[2-(dimethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397855
tert-butyl 6-(ethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397856
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397860
tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397862
tert-butyl 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397868
tert-butyl 6-(butylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397869

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397963) is tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN(CC)C(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is BBYPLGYKAGPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-6-19(7-2)14(21)8-9-17-13-12-20(11-10-18-13)15(22)23-16(3,4)5/h6-12H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-(diethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).