8-bromo-9-ethylpurin-6-amine

C7H8BrN5 — CID 5248753

IUPAC8-bromo-9-ethylpurin-6-amine
SMILESCCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11)
InChIKeyGACDSQLJMZANKT-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.19
Rot. Bonds1

About 8-bromo-9-ethylpurin-6-amine

8-bromo-9-ethylpurin-6-amine (PubChem CID 5248753) has the molecular formula C7H8BrN5 and a molecular weight of 242.08 g/mol. Its IUPAC name is 8-bromo-9-ethylpurin-6-amine.

Molecular Properties

Compound Name8-bromo-9-ethylpurin-6-amine
PubChem CID5248753
Molecular FormulaC7H8BrN5
Molecular Weight242.08 g/mol
Exact Mass241.00
IUPAC Name8-bromo-9-ethylpurin-6-amine
SMILESCCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11)
InChIKeyGACDSQLJMZANKT-UHFFFAOYSA-N
XLogP1.19
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-ethylpurin-6-amine?
The IUPAC name of 8-bromo-9-ethylpurin-6-amine (CID 5248753) is 8-bromo-9-ethylpurin-6-amine.
What is the SMILES notation for 8-bromo-9-ethylpurin-6-amine?
The canonical SMILES for 8-bromo-9-ethylpurin-6-amine is CCn1c(Br)nc2c(N)ncnc21.
What is the InChIKey of 8-bromo-9-ethylpurin-6-amine?
The InChIKey is GACDSQLJMZANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11).
What are the key properties of 8-bromo-9-ethylpurin-6-amine?
8-bromo-9-ethylpurin-6-amine has a molecular weight of 242.08 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-ethylpurin-6-amine is sourced from PubChem (CID 5248753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).