9-(4-aminobutyl)-8-methylpurin-6-amine

C10H16N6 — CID 154682706

IUPAC9-(4-aminobutyl)-8-methylpurin-6-amine
SMILESCc1nc2c(N)ncnc2n1CCCCN
InChIInChI=1S/C10H16N6/c1-7-15-8-9(12)13-6-14-10(8)16(7)5-3-2-4-11/h6H,2-5,11H2,1H3,(H2,12,13,14)
InChIKeyARSATFXPIOCDLF-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.46
Rot. Bonds4

About 9-(4-aminobutyl)-8-methylpurin-6-amine

9-(4-aminobutyl)-8-methylpurin-6-amine (PubChem CID 154682706) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 9-(4-aminobutyl)-8-methylpurin-6-amine.

Molecular Properties

Compound Name9-(4-aminobutyl)-8-methylpurin-6-amine
PubChem CID154682706
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name9-(4-aminobutyl)-8-methylpurin-6-amine
SMILESCc1nc2c(N)ncnc2n1CCCCN
InChIInChI=1S/C10H16N6/c1-7-15-8-9(12)13-6-14-10(8)16(7)5-3-2-4-11/h6H,2-5,11H2,1H3,(H2,12,13,14)
InChIKeyARSATFXPIOCDLF-UHFFFAOYSA-N
XLogP0.46
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-aminobutyl)-8-methylpurin-6-amine?
The IUPAC name of 9-(4-aminobutyl)-8-methylpurin-6-amine (CID 154682706) is 9-(4-aminobutyl)-8-methylpurin-6-amine.
What is the SMILES notation for 9-(4-aminobutyl)-8-methylpurin-6-amine?
The canonical SMILES for 9-(4-aminobutyl)-8-methylpurin-6-amine is Cc1nc2c(N)ncnc2n1CCCCN.
What is the InChIKey of 9-(4-aminobutyl)-8-methylpurin-6-amine?
The InChIKey is ARSATFXPIOCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7-15-8-9(12)13-6-14-10(8)16(7)5-3-2-4-11/h6H,2-5,11H2,1H3,(H2,12,13,14).
What are the key properties of 9-(4-aminobutyl)-8-methylpurin-6-amine?
9-(4-aminobutyl)-8-methylpurin-6-amine has a molecular weight of 220.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminobutyl)-8-methylpurin-6-amine is sourced from PubChem (CID 154682706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).