6-amino-N-butylpurine-9-carboxamide

C10H14N6O — CID 53485241

IUPAC6-amino-N-butylpurine-9-carboxamide
SMILESCCCCNC(=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H14N6O/c1-2-3-4-12-10(17)16-6-15-7-8(11)13-5-14-9(7)16/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14)
InChIKeyABWYKRHFKWXHSP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.77
Rot. Bonds3

About 6-amino-N-butylpurine-9-carboxamide

6-amino-N-butylpurine-9-carboxamide (PubChem CID 53485241) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-amino-N-butylpurine-9-carboxamide.

Molecular Properties

Compound Name6-amino-N-butylpurine-9-carboxamide
PubChem CID53485241
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-amino-N-butylpurine-9-carboxamide
SMILESCCCCNC(=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H14N6O/c1-2-3-4-12-10(17)16-6-15-7-8(11)13-5-14-9(7)16/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14)
InChIKeyABWYKRHFKWXHSP-UHFFFAOYSA-N
XLogP0.77
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.77
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 6-amino-N-butylpurine-9-carboxamide?
The IUPAC name of 6-amino-N-butylpurine-9-carboxamide (CID 53485241) is 6-amino-N-butylpurine-9-carboxamide.
What is the SMILES notation for 6-amino-N-butylpurine-9-carboxamide?
The canonical SMILES for 6-amino-N-butylpurine-9-carboxamide is CCCCNC(=O)n1cnc2c(N)ncnc21.
What is the InChIKey of 6-amino-N-butylpurine-9-carboxamide?
The InChIKey is ABWYKRHFKWXHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-3-4-12-10(17)16-6-15-7-8(11)13-5-14-9(7)16/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14).
What are the key properties of 6-amino-N-butylpurine-9-carboxamide?
6-amino-N-butylpurine-9-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butylpurine-9-carboxamide is sourced from PubChem (CID 53485241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).