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

C14H27N3O2 — CID 103397904

IUPACtert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-10(2)11(3)16-12-9-17(8-7-15-12)13(18)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyQAQOMMRPAWBLHH-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.27
Rot. Bonds2

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

tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397904) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397904
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-10(2)11(3)16-12-9-17(8-7-15-12)13(18)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyQAQOMMRPAWBLHH-UHFFFAOYSA-N
XLogP2.27
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.27
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-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
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-propan-2-yl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67309952
tert-butyl N-[1-(ethynylamino)-1-methyliminopropan-2-yl]-N-propylcarbamate
CID 91277949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397904) is tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is QAQOMMRPAWBLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)11(3)16-12-9-17(8-7-15-12)13(18)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(3-methylbutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).