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

C16H30N4O3 — CID 103398333

IUPACtert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)NC(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O3/c1-15(2,3)19-13(21)7-8-17-12-11-20(10-9-18-12)14(22)23-16(4,5)6/h7-11H2,1-6H3,(H,17,18)(H,19,21)
InChIKeyWXWUFNSFEXSXLF-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.53
Rot. Bonds3

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

tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398333) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398333
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)NC(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O3/c1-15(2,3)19-13(21)7-8-17-12-11-20(10-9-18-12)14(22)23-16(4,5)6/h7-11H2,1-6H3,(H,17,18)(H,19,21)
InChIKeyWXWUFNSFEXSXLF-UHFFFAOYSA-N
XLogP1.53
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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-(dimethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397855
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-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397882
tert-butyl 6-[3-(dimethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397890
tert-butyl 6-[[2-(methylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398333) is tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)NC(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is WXWUFNSFEXSXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-15(2,3)19-13(21)7-8-17-12-11-20(10-9-18-12)14(22)23-16(4,5)6/h7-11H2,1-6H3,(H,17,18)(H,19,21).
What are the key properties of tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).