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

C14H15BrFN3 — CID 79742894

IUPAC3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
SMILESCCNc1nc(C)c(C)nc1-c1cc(Br)ccc1F
InChIInChI=1S/C14H15BrFN3/c1-4-17-14-13(18-8(2)9(3)19-14)11-7-10(15)5-6-12(11)16/h5-7H,4H2,1-3H3,(H,17,19)
InChIKeyVPXMRNCBWAHPOY-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.09
Rot. Bonds3

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

3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine (PubChem CID 79742894) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
PubChem CID79742894
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
SMILESCCNc1nc(C)c(C)nc1-c1cc(Br)ccc1F
InChIInChI=1S/C14H15BrFN3/c1-4-17-14-13(18-8(2)9(3)19-14)11-7-10(15)5-6-12(11)16/h5-7H,4H2,1-3H3,(H,17,19)
InChIKeyVPXMRNCBWAHPOY-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 107514615
3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 113324664
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831868
N-[[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114895360
6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80976858
N-ethyl-5,6-dimethyl-3-quinolin-5-ylpyrazin-2-amine
CID 81228155
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-propylimidazol-4-amine
CID 63469451
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 115504055
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
CID 62218846

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine (CID 79742894) is 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine is CCNc1nc(C)c(C)nc1-c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
The InChIKey is VPXMRNCBWAHPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-4-17-14-13(18-8(2)9(3)19-14)11-7-10(15)5-6-12(11)16/h5-7H,4H2,1-3H3,(H,17,19).
What are the key properties of 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine?
3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine has a molecular weight of 324.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 79742894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).