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

C15H29N3O2 — CID 103398022

IUPACtert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCC(C)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-7-11(2)12(3)17-13-10-18(9-8-16-13)14(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyCWFHKJIRWIDFHX-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.66
Rot. Bonds3

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

tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398022) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398022
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCC(C)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-7-11(2)12(3)17-13-10-18(9-8-16-13)14(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyCWFHKJIRWIDFHX-UHFFFAOYSA-N
XLogP2.66
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(1-methoxybutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398188
tert-butyl 6-(1-ethylsulfanylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398393
tert-butyl 6-(pent-4-en-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398353
tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398019
tert-butyl 6-(5-methylhexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398284
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106388829
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
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-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398022) is tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CCC(C)C(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is CWFHKJIRWIDFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-7-11(2)12(3)17-13-10-18(9-8-16-13)14(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).