9-thiophen-2-ylpurine-8-carbaldehyde

C10H6N4OS — CID 123331261

IUPAC9-thiophen-2-ylpurine-8-carbaldehyde
SMILESO=Cc1nc2cncnc2n1-c1cccs1
InChIInChI=1S/C10H6N4OS/c15-5-8-13-7-4-11-6-12-10(7)14(8)9-2-1-3-16-9/h1-6H
InChIKeyWZZMGSMZVGCWOG-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.69
Rot. Bonds2

About 9-thiophen-2-ylpurine-8-carbaldehyde

9-thiophen-2-ylpurine-8-carbaldehyde (PubChem CID 123331261) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 9-thiophen-2-ylpurine-8-carbaldehyde.

Molecular Properties

Compound Name9-thiophen-2-ylpurine-8-carbaldehyde
PubChem CID123331261
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name9-thiophen-2-ylpurine-8-carbaldehyde
SMILESO=Cc1nc2cncnc2n1-c1cccs1
InChIInChI=1S/C10H6N4OS/c15-5-8-13-7-4-11-6-12-10(7)14(8)9-2-1-3-16-9/h1-6H
InChIKeyWZZMGSMZVGCWOG-UHFFFAOYSA-N
XLogP1.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-thiophen-2-ylpurine-8-carbaldehyde?
The IUPAC name of 9-thiophen-2-ylpurine-8-carbaldehyde (CID 123331261) is 9-thiophen-2-ylpurine-8-carbaldehyde.
What is the SMILES notation for 9-thiophen-2-ylpurine-8-carbaldehyde?
The canonical SMILES for 9-thiophen-2-ylpurine-8-carbaldehyde is O=Cc1nc2cncnc2n1-c1cccs1.
What is the InChIKey of 9-thiophen-2-ylpurine-8-carbaldehyde?
The InChIKey is WZZMGSMZVGCWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c15-5-8-13-7-4-11-6-12-10(7)14(8)9-2-1-3-16-9/h1-6H.
What are the key properties of 9-thiophen-2-ylpurine-8-carbaldehyde?
9-thiophen-2-ylpurine-8-carbaldehyde has a molecular weight of 230.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-2-ylpurine-8-carbaldehyde is sourced from PubChem (CID 123331261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).