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

C14H26N4O2 — CID 103398021

IUPACtert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)20-13(19)18-8-6-15-12(10-18)16-11-5-7-17(4)9-11/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOWSUGYAGCWWUDG-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.93
Rot. Bonds1

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

tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398021) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398021
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)20-13(19)18-8-6-15-12(10-18)16-11-5-7-17(4)9-11/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOWSUGYAGCWWUDG-UHFFFAOYSA-N
XLogP0.93
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
tert-butyl N-(1-carbamimidoylpyrrolidin-3-yl)carbamate
CID 56698928
tert-Butyl 2-(trifluoromethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]imidazole-5(1H)-carboxylate
CID 86635440
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl N-[(3R)-1-[N-(3-fluoropropyl)-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 109837309
tert-butyl N-[(3R)-1-[N-ethyl-N'-(3-fluoropropyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 109837418
tert-butyl N-[(3R)-1-carbamimidoylpyrrolidin-3-yl]carbamate
CID 57833062
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 3-carbamimidamidopyrrolidine-1-carboxylate
CID 68951416
tert-butyl (2S)-2-(4,5-dihydro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 70825328

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398021) is tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is OWSUGYAGCWWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,3)20-13(19)18-8-6-15-12(10-18)16-11-5-7-17(4)9-11/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).