3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine

C14H16BrN3 — CID 113324664

IUPAC3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
SMILESCCNc1nc(C)c(C)nc1-c1ccccc1Br
InChIInChI=1S/C14H16BrN3/c1-4-16-14-13(17-9(2)10(3)18-14)11-7-5-6-8-12(11)15/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyOKTYUCUKLJOLMW-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.95
Rot. Bonds3

About 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine

3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine (PubChem CID 113324664) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
PubChem CID113324664
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
SMILESCCNc1nc(C)c(C)nc1-c1ccccc1Br
InChIInChI=1S/C14H16BrN3/c1-4-16-14-13(17-9(2)10(3)18-14)11-7-5-6-8-12(11)15/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyOKTYUCUKLJOLMW-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-(4-bromobenzyl)-6-methylpyridin-2-amine
CID 975979
2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 57393996
6-Bromo-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 9977166
1-[2-[2-(3-Bromo-4-fluorophenyl)-4,5-dimethylimidazol-1-yl]ethyl]piperazine
CID 156009886
N-butyl-3-phenylpyrazin-2-amine
CID 172438783
1-(5-Bromo-6-methyl-2-pyridyl)-3-[2-(2,6-difluorophenyl)ethyl]thiourea
CID 3002991
3,6-diethyl-5-(4-fluoro-2-methylphenyl)-N-pentan-3-ylpyrazin-2-amine
CID 9923545
2,3-Dicyano-5-ethylamino-6-(m-fluorophenyl)pyrazine
CID 13336999
5-(3-Fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile
CID 13337000
(9R,13R)-5-bromo-4-(fluoromethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene
CID 18455886
5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
CID 22248899

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine (CID 113324664) is 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine is CCNc1nc(C)c(C)nc1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
The InChIKey is OKTYUCUKLJOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-4-16-14-13(17-9(2)10(3)18-14)11-7-5-6-8-12(11)15/h5-8H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 113324664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).