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

C15H28N4O3 — CID 103398037

IUPACtert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N4O3/c1-6-7-17-13(20)11(2)18-12-10-19(9-8-16-12)14(21)22-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyCABFGGFZGNVDCZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.14
Rot. Bonds4

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

tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398037) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398037
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Nametert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N4O3/c1-6-7-17-13(20)11(2)18-12-10-19(9-8-16-12)14(21)22-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyCABFGGFZGNVDCZ-UHFFFAOYSA-N
XLogP1.14
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
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-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
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 N-[(2S)-1-(1-aminopropylideneamino)-1-oxopropan-2-yl]carbamate
CID 177145736
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398037) is tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCCNC(=O)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is CABFGGFZGNVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-6-7-17-13(20)11(2)18-12-10-19(9-8-16-12)14(21)22-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,17,20).
What are the key properties of tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.14, 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-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).