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

C16H30N4O3 — CID 103398327

IUPACtert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)CNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O3/c1-11(2)9-18-14(21)12(3)19-13-10-20(8-7-17-13)15(22)23-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,21)
InChIKeyBWTYLSMOHHOWKZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.39
Rot. Bonds4

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

tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398327) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398327
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)CNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O3/c1-11(2)9-18-14(21)12(3)19-13-10-20(8-7-17-13)15(22)23-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,21)
InChIKeyBWTYLSMOHHOWKZ-UHFFFAOYSA-N
XLogP1.39
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[[1-(2-methylpropylamino)-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-[1-[3-imino-4-(3-methylbutanimidoyl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 145223522
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-(2-methylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397851
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398327) is tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)CNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is BWTYLSMOHHOWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-11(2)9-18-14(21)12(3)19-13-10-20(8-7-17-13)15(22)23-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,21).
What are the key properties of tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).