8-bromo-9-butylpurin-6-amine

C9H12BrN5 — CID 11608719

IUPAC8-bromo-9-butylpurin-6-amine
SMILESCCCCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C9H12BrN5/c1-2-3-4-15-8-6(14-9(15)10)7(11)12-5-13-8/h5H,2-4H2,1H3,(H2,11,12,13)
InChIKeyFKNNQOCJLMQVAV-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.97
Rot. Bonds3

About 8-bromo-9-butylpurin-6-amine

8-bromo-9-butylpurin-6-amine (PubChem CID 11608719) has the molecular formula C9H12BrN5 and a molecular weight of 270.13 g/mol. Its IUPAC name is 8-bromo-9-butylpurin-6-amine.

Molecular Properties

Compound Name8-bromo-9-butylpurin-6-amine
PubChem CID11608719
Molecular FormulaC9H12BrN5
Molecular Weight270.13 g/mol
Exact Mass269.03
IUPAC Name8-bromo-9-butylpurin-6-amine
SMILESCCCCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C9H12BrN5/c1-2-3-4-15-8-6(14-9(15)10)7(11)12-5-13-8/h5H,2-4H2,1H3,(H2,11,12,13)
InChIKeyFKNNQOCJLMQVAV-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-9-propylpurin-6-amine
CID 11849871
4-(6-amino-8-bromopurin-9-yl)butyl acetate
CID 91623007
8-bromo-9-pent-3-ynylpurin-6-amine
CID 143496322
8-bromo-9-methylpurin-6-amine
CID 822296
9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine
CID 174590375
(2R)-2-(6-amino-9-butylpurin-8-yl)sulfanylbutanoic acid
CID 97035787
CID 11113211
CID 11113211
4-[2-(6-amino-8-bromopurin-9-yl)ethoxy]benzonitrile
CID 170551577
9-(4-aminobutyl)-8-methylpurin-6-amine
CID 154682706
2-[(6-amino-8-bromopurin-9-yl)methoxy]propane-1,3-diol
CID 71324086
4-[(6-amino-9-butylpurin-8-yl)methyl]-2,6-dimethoxyphenol
CID 71055878
9-butyl-8-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine
CID 11850631

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-butylpurin-6-amine?
The IUPAC name of 8-bromo-9-butylpurin-6-amine (CID 11608719) is 8-bromo-9-butylpurin-6-amine.
What is the SMILES notation for 8-bromo-9-butylpurin-6-amine?
The canonical SMILES for 8-bromo-9-butylpurin-6-amine is CCCCn1c(Br)nc2c(N)ncnc21.
What is the InChIKey of 8-bromo-9-butylpurin-6-amine?
The InChIKey is FKNNQOCJLMQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5/c1-2-3-4-15-8-6(14-9(15)10)7(11)12-5-13-8/h5H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 8-bromo-9-butylpurin-6-amine?
8-bromo-9-butylpurin-6-amine has a molecular weight of 270.13 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-butylpurin-6-amine is sourced from PubChem (CID 11608719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).