tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate

C10H18N2O3 — CID 58154190

IUPACtert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-5-11-8(7-12)14-4/h5-7H2,1-4H3
InChIKeyVATRKSAYTIKXFH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds

About tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 58154190) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID58154190
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-5-11-8(7-12)14-4/h5-7H2,1-4H3
InChIKeyVATRKSAYTIKXFH-UHFFFAOYSA-N
XLogP1.28
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[(4-methylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397895
tert-butyl 6-(1-methoxybutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398188
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-(1-ethylsulfanylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398393
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-(2,2-dimethylheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398267

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 58154190) is tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate is COC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is VATRKSAYTIKXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-5-11-8(7-12)14-4/h5-7H2,1-4H3.
What are the key properties of tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 58154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).