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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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).