tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H30N4O2 — CID 103398031

IUPACtert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(CN1CCCC1)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O2/c1-13(11-19-8-5-6-9-19)18-14-12-20(10-7-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyIUOVKUZDMKVFBQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398031) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398031
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(CN1CCCC1)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O2/c1-13(11-19-8-5-6-9-19)18-14-12-20(10-7-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyIUOVKUZDMKVFBQ-UHFFFAOYSA-N
XLogP1.71
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-pyrrolidin-1-ium-1-ylidenemethyl]amino]propan-2-yl]carbamate
CID 135014457
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67309952
tert-butyl 2-methyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67310465
tert-butyl 2-tert-butyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67311327
tert-butyl (2S)-2-(4,5-dihydro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 70825328
tert-butyl 2-cyclopropyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 118613893
tert-Butyl 3a,4,6,6a-tetrahydropyrrolo[3,4-d]imidazole-5(1H)-carboxylate
CID 118614415
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
CID 123848410
tert-butyl (2S)-2-(N-butan-2-yl-N'-methylcarbamimidoyl)pyrrolidine-1-carboxylate
CID 129239380
tert-butyl 2-cyano-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 144979281
Tert-butyl 2-(2-imino-6-methylpiperazine-1-carboximidoyl)pyrrolidine-1-carboxylate
CID 145316463

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398031) is tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(CN1CCCC1)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is IUOVKUZDMKVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13(11-19-8-5-6-9-19)18-14-12-20(10-7-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).