4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde

C7H3ClN2OS — CID 59424423

IUPAC4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde
SMILESO=Cc1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H3ClN2OS/c8-7-6-5(9-3-10-7)1-4(2-11)12-6/h1-3H
InChIKeyAIKAEOONESRENG-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.16
Rot. Bonds1

About 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde

4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde (PubChem CID 59424423) has the molecular formula C7H3ClN2OS and a molecular weight of 198.63 g/mol. Its IUPAC name is 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde
PubChem CID59424423
Molecular FormulaC7H3ClN2OS
Molecular Weight198.63 g/mol
Exact Mass197.97
IUPAC Name4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde
SMILESO=Cc1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H3ClN2OS/c8-7-6-5(9-3-10-7)1-4(2-11)12-6/h1-3H
InChIKeyAIKAEOONESRENG-UHFFFAOYSA-N
XLogP2.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde (CID 59424423) is 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde is O=Cc1cc2ncnc(Cl)c2s1.
What is the InChIKey of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde?
The InChIKey is AIKAEOONESRENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2OS/c8-7-6-5(9-3-10-7)1-4(2-11)12-6/h1-3H.
What are the key properties of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde?
4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde has a molecular weight of 198.63 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 59424423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).