thieno[3,2-d]pyrimidine-7-carbaldehyde

C7H4N2OS — CID 55274736

IUPACthieno[3,2-d]pyrimidine-7-carbaldehyde
SMILESO=Cc1csc2cncnc12
InChIInChI=1S/C7H4N2OS/c10-2-5-3-11-6-1-8-4-9-7(5)6/h1-4H
InChIKeyAROWMXGGAHTZPG-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.50
Rot. Bonds1

About thieno[3,2-d]pyrimidine-7-carbaldehyde

thieno[3,2-d]pyrimidine-7-carbaldehyde (PubChem CID 55274736) has the molecular formula C7H4N2OS and a molecular weight of 164.19 g/mol. Its IUPAC name is thieno[3,2-d]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Namethieno[3,2-d]pyrimidine-7-carbaldehyde
PubChem CID55274736
Molecular FormulaC7H4N2OS
Molecular Weight164.19 g/mol
Exact Mass164.00
IUPAC Namethieno[3,2-d]pyrimidine-7-carbaldehyde
SMILESO=Cc1csc2cncnc12
InChIInChI=1S/C7H4N2OS/c10-2-5-3-11-6-1-8-4-9-7(5)6/h1-4H
InChIKeyAROWMXGGAHTZPG-UHFFFAOYSA-N
XLogP1.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-d]pyrimidine-7-carbaldehyde?
The IUPAC name of thieno[3,2-d]pyrimidine-7-carbaldehyde (CID 55274736) is thieno[3,2-d]pyrimidine-7-carbaldehyde.
What is the SMILES notation for thieno[3,2-d]pyrimidine-7-carbaldehyde?
The canonical SMILES for thieno[3,2-d]pyrimidine-7-carbaldehyde is O=Cc1csc2cncnc12.
What is the InChIKey of thieno[3,2-d]pyrimidine-7-carbaldehyde?
The InChIKey is AROWMXGGAHTZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS/c10-2-5-3-11-6-1-8-4-9-7(5)6/h1-4H.
What are the key properties of thieno[3,2-d]pyrimidine-7-carbaldehyde?
thieno[3,2-d]pyrimidine-7-carbaldehyde has a molecular weight of 164.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-d]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 55274736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).