[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate

C11H16BrN3O2 — CID 174478259

IUPAC[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cnc(CCBr)cn1)OC(N)=O
InChIInChI=1S/C11H16BrN3O2/c1-11(2,17-10(13)16)5-9-7-14-8(3-4-12)6-15-9/h6-7H,3-5H2,1-2H3,(H2,13,16)
InChIKeyGLRTYQVVKBTYNM-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.83
Rot. Bonds5

About [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate

[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 174478259) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate
PubChem CID174478259
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cnc(CCBr)cn1)OC(N)=O
InChIInChI=1S/C11H16BrN3O2/c1-11(2,17-10(13)16)5-9-7-14-8(3-4-12)6-15-9/h6-7H,3-5H2,1-2H3,(H2,13,16)
InChIKeyGLRTYQVVKBTYNM-UHFFFAOYSA-N
XLogP1.83
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 150360244
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
[1-[4-(3-bromopropoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 175277508
[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 150728794
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-2-yl] carbamate
CID 150242419
(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate
CID 175863332
5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
CID 123620674
[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151373577
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
CID 67036605
[1-[4-[(2-bromoacetyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 151464602
[1-(2-fluoro-4-iodo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151106232

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate (CID 174478259) is [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cnc(CCBr)cn1)OC(N)=O.
What is the InChIKey of [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is GLRTYQVVKBTYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-11(2,17-10(13)16)5-9-7-14-8(3-4-12)6-15-9/h6-7H,3-5H2,1-2H3,(H2,13,16).
What are the key properties of [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate?
[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 302.17 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 174478259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).