5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane

C19H28BrN3 — CID 142247300

IUPAC5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane
SMILESCC.CCc1nc(Br)c(CC)nc1N.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C8H12BrN3.C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-7(9)11-6(4-2)8(10)12-5;1-2/h1-2,4-5H,3,6-7H2;3-4H2,1-2H3,(H2,10,12);1-2H3
InChIKeyFHSCMVIIFTUJML-UHFFFAOYSA-N
MW378.36 g/mol
LogP5.15
Rot. Bonds2

About 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane

5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane (PubChem CID 142247300) has the molecular formula C19H28BrN3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane.

Molecular Properties

Compound Name5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane
PubChem CID142247300
Molecular FormulaC19H28BrN3
Molecular Weight378.36 g/mol
Exact Mass377.15
IUPAC Name5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane
SMILESCC.CCc1nc(Br)c(CC)nc1N.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C8H12BrN3.C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-7(9)11-6(4-2)8(10)12-5;1-2/h1-2,4-5H,3,6-7H2;3-4H2,1-2H3,(H2,10,12);1-2H3
InChIKeyFHSCMVIIFTUJML-UHFFFAOYSA-N
XLogP5.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.36
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane?
The IUPAC name of 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane (CID 142247300) is 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane.
What is the SMILES notation for 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane?
The canonical SMILES for 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane is CC.CCc1nc(Br)c(CC)nc1N.c1ccc2c(c1)CCC2.
What is the InChIKey of 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane?
The InChIKey is FHSCMVIIFTUJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H12BrN3.C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-7(9)11-6(4-2)8(10)12-5;1-2/h1-2,4-5H,3,6-7H2;3-4H2,1-2H3,(H2,10,12);1-2H3.
What are the key properties of 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane?
5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane has a molecular weight of 378.36 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane is sourced from PubChem (CID 142247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).