tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate

C13H20BrN3O3 — CID 167351136

IUPACtert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate
SMILESCc1nc(Br)cnc1OC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20BrN3O3/c1-8(6-16-12(18)20-13(3,4)5)19-11-9(2)17-10(14)7-15-11/h7-8H,6H2,1-5H3,(H,16,18)
InChIKeyWVURZKAIVRTWCM-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate

tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate (PubChem CID 167351136) has the molecular formula C13H20BrN3O3 and a molecular weight of 346.23 g/mol. Its IUPAC name is tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate
PubChem CID167351136
Molecular FormulaC13H20BrN3O3
Molecular Weight346.23 g/mol
Exact Mass345.07
IUPAC Nametert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate
SMILESCc1nc(Br)cnc1OC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20BrN3O3/c1-8(6-16-12(18)20-13(3,4)5)19-11-9(2)17-10(14)7-15-11/h7-8H,6H2,1-5H3,(H,16,18)
InChIKeyWVURZKAIVRTWCM-UHFFFAOYSA-N
XLogP2.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate 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 N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
CID 175364559
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
CID 142279103
tert-butyl N-[(2S)-2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
CID 162374918
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
CID 142279124
tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)oxycarbonylcarbamate
CID 162129001
tert-butyl N-[3-(5-bromo-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833174
tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
CID 165369012
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
methyl 3-bromo-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 170120050

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate (CID 167351136) is tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate is Cc1nc(Br)cnc1OC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate?
The InChIKey is WVURZKAIVRTWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3/c1-8(6-16-12(18)20-13(3,4)5)19-11-9(2)17-10(14)7-15-11/h7-8H,6H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate?
tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate has a molecular weight of 346.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate is sourced from PubChem (CID 167351136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).