tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H30N4O2 — CID 103397860

IUPACtert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N4O2/c1-6-18(7-2)10-8-16-13-12-19(11-9-17-13)14(20)21-15(3,4)5/h6-12H2,1-5H3,(H,16,17)
InChIKeyPCTUEKRSSQLPIG-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.57
Rot. Bonds5

About tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397860) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397860
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nametert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N4O2/c1-6-18(7-2)10-8-16-13-12-19(11-9-17-13)14(20)21-15(3,4)5/h6-12H2,1-5H3,(H,16,17)
InChIKeyPCTUEKRSSQLPIG-UHFFFAOYSA-N
XLogP1.57
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-4,5-dihydro-imidazole-1-carboxylic acid t-butyl ester
CID 11735561
Tert-butyl 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 19049020
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 5-(dimethylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165917498
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-(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 6-(2,2,3,3-tetrafluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106293719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397860) is tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN(CC)CCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is PCTUEKRSSQLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-6-18(7-2)10-8-16-13-12-19(11-9-17-13)14(20)21-15(3,4)5/h6-12H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).