tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H31N5O2 — CID 103397965

IUPACtert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCN(CCNC2=NCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C16H31N5O2/c1-16(2,3)23-15(22)21-8-6-18-14(13-21)17-5-7-20-11-9-19(4)10-12-20/h5-13H2,1-4H3,(H,17,18)
InChIKeyDBGPFECAULXSPS-UHFFFAOYSA-N
MW325.46 g/mol
LogP0.47
Rot. Bonds3

About tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397965) has the molecular formula C16H31N5O2 and a molecular weight of 325.46 g/mol. Its IUPAC name is tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397965
Molecular FormulaC16H31N5O2
Molecular Weight325.46 g/mol
Exact Mass325.25
IUPAC Nametert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCN(CCNC2=NCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C16H31N5O2/c1-16(2,3)23-15(22)21-8-6-18-14(13-21)17-5-7-20-11-9-19(4)10-12-20/h5-13H2,1-4H3,(H,17,18)
InChIKeyDBGPFECAULXSPS-UHFFFAOYSA-N
XLogP0.47
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
1-(imidazolin-2-yl)-4-Boc-piperazine
CID 18424132
tert-butyl (NE)-N-[amino(piperazin-1-yl)methylidene]carbamate
CID 22629436
Tert-butyl 4-ethanimidoylpiperazine-1-carboxylate
CID 23401061
N-tert-butoxycarbonyl piperazine-1-carboxamidine
CID 53676491
Tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate
CID 70866227
tert-butyl 4-(C,N-dimethylcarbonimidoyl)piperazine-1-carboxylate
CID 90906459
Tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate
CID 91396023

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397965) is tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1CCN(CCNC2=NCCN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DBGPFECAULXSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O2/c1-16(2,3)23-15(22)21-8-6-18-14(13-21)17-5-7-20-11-9-19(4)10-12-20/h5-13H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 325.46 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).