9-(10-bromodecyl)purin-6-amine

C15H24BrN5 — CID 10831944

IUPAC9-(10-bromodecyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCCCCCCCCCBr
InChIInChI=1S/C15H24BrN5/c16-9-7-5-3-1-2-4-6-8-10-21-12-20-13-14(17)18-11-19-15(13)21/h11-12H,1-10H2,(H2,17,18,19)
InChIKeyFWSFETAZULBNFJ-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.92
Rot. Bonds10

About 9-(10-bromodecyl)purin-6-amine

9-(10-bromodecyl)purin-6-amine (PubChem CID 10831944) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is 9-(10-bromodecyl)purin-6-amine.

Molecular Properties

Compound Name9-(10-bromodecyl)purin-6-amine
PubChem CID10831944
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC Name9-(10-bromodecyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCCCCCCCCCBr
InChIInChI=1S/C15H24BrN5/c16-9-7-5-3-1-2-4-6-8-10-21-12-20-13-14(17)18-11-19-15(13)21/h11-12H,1-10H2,(H2,17,18,19)
InChIKeyFWSFETAZULBNFJ-UHFFFAOYSA-N
XLogP3.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

9-nonylpurin-6-amine
CID 3816519
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-pent-4-ynylpurin-6-amine
CID 91098853
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
9-(6-anilinohexyl)purin-6-amine
CID 67346454
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528
9-[12-[4-(dimethylamino)pyridin-1-ium-1-yl]dodecyl]purin-6-amine
CID 90666557

Frequently Asked Questions

What is the IUPAC name of 9-(10-bromodecyl)purin-6-amine?
The IUPAC name of 9-(10-bromodecyl)purin-6-amine (CID 10831944) is 9-(10-bromodecyl)purin-6-amine.
What is the SMILES notation for 9-(10-bromodecyl)purin-6-amine?
The canonical SMILES for 9-(10-bromodecyl)purin-6-amine is Nc1ncnc2c1ncn2CCCCCCCCCCBr.
What is the InChIKey of 9-(10-bromodecyl)purin-6-amine?
The InChIKey is FWSFETAZULBNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c16-9-7-5-3-1-2-4-6-8-10-21-12-20-13-14(17)18-11-19-15(13)21/h11-12H,1-10H2,(H2,17,18,19).
What are the key properties of 9-(10-bromodecyl)purin-6-amine?
9-(10-bromodecyl)purin-6-amine has a molecular weight of 354.30 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-bromodecyl)purin-6-amine is sourced from PubChem (CID 10831944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).