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

C15H27N3O2 — CID 103397844

IUPACtert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)20-14(19)18-10-9-16-13(11-18)17-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyXMPATHHDEZENIG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.56
Rot. Bonds1

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

tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397844) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397844
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)20-14(19)18-10-9-16-13(11-18)17-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyXMPATHHDEZENIG-UHFFFAOYSA-N
XLogP2.56
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-(5,5,5-trifluoropentylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398291
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate
CID 54080814
tert-butyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786184
tert-butyl (3R)-3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786185
tert-butyl (2S)-2-(4,5-dihydro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 70825328
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
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tert-butyl (2S)-2-(N-butan-2-yl-N'-methylcarbamimidoyl)pyrrolidine-1-carboxylate
CID 129239380
tert-butyl N-[4-[1-(methyliminomethylamino)ethylideneamino]cyclohexyl]carbamate
CID 132062606
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl (2S)-2-[N-[(2R)-butan-2-yl]-N'-ethylcarbamimidoyl]pyrrolidine-1-carboxylate
CID 163739249
Tert-butyl 3-amino-5-propyl-2,5,6,7-tetrahydro-1,4-diazepine-1-carboxylate
CID 67761334

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397844) is tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCCCC2)C1.
What is the InChIKey of tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is XMPATHHDEZENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)20-14(19)18-10-9-16-13(11-18)17-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).