tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate

C13H20BrN5O2 — CID 58446968

IUPACtert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2N)CC1
InChIInChI=1S/C13H20BrN5O2/c1-13(2,3)21-12(20)19-6-4-18(5-7-19)11-10(15)17-9(14)8-16-11/h8H,4-7H2,1-3H3,(H2,15,17)
InChIKeyDBXVDQXATVVFGM-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate (PubChem CID 58446968) has the molecular formula C13H20BrN5O2 and a molecular weight of 358.24 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate
PubChem CID58446968
Molecular FormulaC13H20BrN5O2
Molecular Weight358.24 g/mol
Exact Mass357.08
IUPAC Nametert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2N)CC1
InChIInChI=1S/C13H20BrN5O2/c1-13(2,3)21-12(20)19-6-4-18(5-7-19)11-10(15)17-9(14)8-16-11/h8H,4-7H2,1-3H3,(H2,15,17)
InChIKeyDBXVDQXATVVFGM-UHFFFAOYSA-N
XLogP1.88
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate (CID 58446968) is tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2N)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate?
The InChIKey is DBXVDQXATVVFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O2/c1-13(2,3)21-12(20)19-6-4-18(5-7-19)11-10(15)17-9(14)8-16-11/h8H,4-7H2,1-3H3,(H2,15,17).
What are the key properties of tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate has a molecular weight of 358.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 58446968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).