8-bromo-9-propylpurin-6-amine

C8H10BrN5 — CID 11849871

IUPAC8-bromo-9-propylpurin-6-amine
SMILESCCCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C8H10BrN5/c1-2-3-14-7-5(13-8(14)9)6(10)11-4-12-7/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKeyATNWURROUOXVHM-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.58
Rot. Bonds2

About 8-bromo-9-propylpurin-6-amine

8-bromo-9-propylpurin-6-amine (PubChem CID 11849871) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is 8-bromo-9-propylpurin-6-amine.

Molecular Properties

Compound Name8-bromo-9-propylpurin-6-amine
PubChem CID11849871
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC Name8-bromo-9-propylpurin-6-amine
SMILESCCCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C8H10BrN5/c1-2-3-14-7-5(13-8(14)9)6(10)11-4-12-7/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKeyATNWURROUOXVHM-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-propylpurin-6-amine?
The IUPAC name of 8-bromo-9-propylpurin-6-amine (CID 11849871) is 8-bromo-9-propylpurin-6-amine.
What is the SMILES notation for 8-bromo-9-propylpurin-6-amine?
The canonical SMILES for 8-bromo-9-propylpurin-6-amine is CCCn1c(Br)nc2c(N)ncnc21.
What is the InChIKey of 8-bromo-9-propylpurin-6-amine?
The InChIKey is ATNWURROUOXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c1-2-3-14-7-5(13-8(14)9)6(10)11-4-12-7/h4H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 8-bromo-9-propylpurin-6-amine?
8-bromo-9-propylpurin-6-amine has a molecular weight of 256.11 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-propylpurin-6-amine is sourced from PubChem (CID 11849871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).