tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C13H23N3O2 — CID 103397858

IUPACtert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2CC2)C1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)16-7-6-14-11(9-16)15-8-10-4-5-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyGZNVMUUAWOIHSO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397858) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397858
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nametert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2CC2)C1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)16-7-6-14-11(9-16)15-8-10-4-5-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyGZNVMUUAWOIHSO-UHFFFAOYSA-N
XLogP1.64
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-(3,3,3-trifluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398141
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-(4,4,4-trifluorobutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398290
tert-butyl 6-(5,5,5-trifluoropentylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398291
tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106214986
tert-butyl 6-(2,2,3,3-tetrafluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106293719
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl 2-cyclopropyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 118613893

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397858) is tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC2CC2)C1.
What is the InChIKey of tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is GZNVMUUAWOIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)16-7-6-14-11(9-16)15-8-10-4-5-10/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(cyclopropylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).