6-methoxy-9-octylpurin-8-amine

C14H23N5O — CID 115569133

IUPAC6-methoxy-9-octylpurin-8-amine
SMILESCCCCCCCCn1c(N)nc2c(OC)ncnc21
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-8-9-19-12-11(18-14(19)15)13(20-2)17-10-16-12/h10H,3-9H2,1-2H3,(H2,15,18)
InChIKeyGGYBTPOLKAREMA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.78
Rot. Bonds8

About 6-methoxy-9-octylpurin-8-amine

6-methoxy-9-octylpurin-8-amine (PubChem CID 115569133) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-methoxy-9-octylpurin-8-amine.

Molecular Properties

Compound Name6-methoxy-9-octylpurin-8-amine
PubChem CID115569133
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-methoxy-9-octylpurin-8-amine
SMILESCCCCCCCCn1c(N)nc2c(OC)ncnc21
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-8-9-19-12-11(18-14(19)15)13(20-2)17-10-16-12/h10H,3-9H2,1-2H3,(H2,15,18)
InChIKeyGGYBTPOLKAREMA-UHFFFAOYSA-N
XLogP2.78
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
CID 106326325
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150
8-(2-chloroethyl)-6-methoxy-9-(3-propoxypropyl)purine
CID 82940592
9-pentylpurine-2,8-diamine
CID 140922061
5-[8-(1-chloroethyl)-6-methoxypurin-9-yl]pentanamide
CID 106240319
5-(4-methoxyphenyl)-1-octylimidazol-2-amine
CID 50941070
8-bromo-9-butylpurin-6-amine
CID 11608719
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
CID 107601316
3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288958
CID 11113211
CID 11113211
9-nonylpurin-6-amine
CID 3816519
8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
CID 91285974

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-octylpurin-8-amine?
The IUPAC name of 6-methoxy-9-octylpurin-8-amine (CID 115569133) is 6-methoxy-9-octylpurin-8-amine.
What is the SMILES notation for 6-methoxy-9-octylpurin-8-amine?
The canonical SMILES for 6-methoxy-9-octylpurin-8-amine is CCCCCCCCn1c(N)nc2c(OC)ncnc21.
What is the InChIKey of 6-methoxy-9-octylpurin-8-amine?
The InChIKey is GGYBTPOLKAREMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-4-5-6-7-8-9-19-12-11(18-14(19)15)13(20-2)17-10-16-12/h10H,3-9H2,1-2H3,(H2,15,18).
What are the key properties of 6-methoxy-9-octylpurin-8-amine?
6-methoxy-9-octylpurin-8-amine has a molecular weight of 277.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-octylpurin-8-amine is sourced from PubChem (CID 115569133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).