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

C14H27N5O3 — CID 103398307

IUPACtert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)C(=O)NCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N5O3/c1-14(2,3)22-13(21)19-9-8-16-11(10-19)15-6-7-17-12(20)18(4)5/h6-10H2,1-5H3,(H,15,16)(H,17,20)
InChIKeyBGUUOWBFRWVLDW-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.50
Rot. Bonds3

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

tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398307) has the molecular formula C14H27N5O3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398307
Molecular FormulaC14H27N5O3
Molecular Weight313.40 g/mol
Exact Mass313.21
IUPAC Nametert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)C(=O)NCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N5O3/c1-14(2,3)22-13(21)19-9-8-16-11(10-19)15-6-7-17-12(20)18(4)5/h6-10H2,1-5H3,(H,15,16)(H,17,20)
InChIKeyBGUUOWBFRWVLDW-UHFFFAOYSA-N
XLogP0.50
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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 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 N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109471603
tert-butyl N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]-N-methylcarbamate
CID 109473035
tert-butyl N-ethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]carbamate
CID 109473991
tert-butyl N-ethyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109474476
tert-butyl N-ethyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]carbamate
CID 109474477
Tert-butyl 4-[2-[[ethylamino-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methylidene]amino]ethyl]piperazine-1-carboxylate
CID 111885087
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398307) is tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN(C)C(=O)NCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is BGUUOWBFRWVLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3/c1-14(2,3)22-13(21)19-9-8-16-11(10-19)15-6-7-17-12(20)18(4)5/h6-10H2,1-5H3,(H,15,16)(H,17,20).
What are the key properties of tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(dimethylcarbamoylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).