tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane

C12H24N2O2 — CID 145066707

IUPACtert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
SMILESCC.CC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H18N2O2.C2H6/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-2/h5-7H2,1-4H3;1-2H3
InChIKeyGPCOGJTYXAPSLK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.72
Rot. Bonds

About tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane

tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane (PubChem CID 145066707) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
PubChem CID145066707
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
SMILESCC.CC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H18N2O2.C2H6/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-2/h5-7H2,1-4H3;1-2H3
InChIKeyGPCOGJTYXAPSLK-UHFFFAOYSA-N
XLogP2.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 58154190
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-[(5-methylpyrazin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398128
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
tert-butyl 6-[(4-methylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397895
tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398022
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-(5-methylhexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398284
tert-butyl 6-[(1-oxothian-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398368
tert-butyl 6-(2,2-dimethylheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398267

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane?
The IUPAC name of tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane (CID 145066707) is tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane.
What is the SMILES notation for tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane?
The canonical SMILES for tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane is CC.CC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane?
The InChIKey is GPCOGJTYXAPSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-2/h5-7H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane?
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane has a molecular weight of 228.34 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane is sourced from PubChem (CID 145066707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).