tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H34N4O2 — CID 103397862

IUPACtert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)N(CCNC1=NCCN(C(=O)OC(C)(C)C)C1)C(C)C
InChIInChI=1S/C17H34N4O2/c1-13(2)21(14(3)4)11-9-19-15-12-20(10-8-18-15)16(22)23-17(5,6)7/h13-14H,8-12H2,1-7H3,(H,18,19)
InChIKeyKCRGSRJORFTWMN-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.34
Rot. Bonds5

About tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397862) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397862
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Nametert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)N(CCNC1=NCCN(C(=O)OC(C)(C)C)C1)C(C)C
InChIInChI=1S/C17H34N4O2/c1-13(2)21(14(3)4)11-9-19-15-12-20(10-8-18-15)16(22)23-17(5,6)7/h13-14H,8-12H2,1-7H3,(H,18,19)
InChIKeyKCRGSRJORFTWMN-UHFFFAOYSA-N
XLogP2.34
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
CID 123848410
tert-butyl 6-amino-1-(N'-methylcarbamimidoyl)-3,5-dihydro-2H-pyrazin-1-ium-4-carboxylate
CID 142547128
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397862) is tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)N(CCNC1=NCCN(C(=O)OC(C)(C)C)C1)C(C)C.
What is the InChIKey of tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is KCRGSRJORFTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-13(2)21(14(3)4)11-9-19-15-12-20(10-8-18-15)16(22)23-17(5,6)7/h13-14H,8-12H2,1-7H3,(H,18,19).
What are the key properties of tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.49 g/mol, XLogP of 2.34, 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-[di(propan-2-yl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).