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

C16H30N4O3 — CID 103398326

IUPACtert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-11(13(21)19-15(2,3)4)18-12-10-20(9-8-17-12)14(22)23-16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18)(H,19,21)
InChIKeyUGLQJNIDAIMZRK-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.53
Rot. Bonds2

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

tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398326) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398326
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-11(13(21)19-15(2,3)4)18-12-10-20(9-8-17-12)14(22)23-16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18)(H,19,21)
InChIKeyUGLQJNIDAIMZRK-UHFFFAOYSA-N
XLogP1.53
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

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

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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-[(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 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-(pentan-3-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397853
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397862
tert-butyl 6-(pentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397863
tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397882

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398326) is tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(tert-butylamino)-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)NC(C)(C)C.
What is the InChIKey of tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is UGLQJNIDAIMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-11(13(21)19-15(2,3)4)18-12-10-20(9-8-17-12)14(22)23-16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18)(H,19,21).
What are the key properties of tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).