4-chlorothieno[2,3-d]pyrimidine

C6H3ClN2S — CID 736618

IUPAC4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ncnc2sccc12
InChIInChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
InChIKeyNZCRUBBNZGVREM-UHFFFAOYSA-N
MW170.62 g/mol
LogP2.34
Rot. Bonds

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

4-chlorothieno[2,3-d]pyrimidine (PubChem CID 736618) has the molecular formula C6H3ClN2S and a molecular weight of 170.62 g/mol. Its IUPAC name is 4-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chlorothieno[2,3-d]pyrimidine
PubChem CID736618
Molecular FormulaC6H3ClN2S
Molecular Weight170.62 g/mol
Exact Mass169.97
IUPAC Name4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ncnc2sccc12
InChIInChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
InChIKeyNZCRUBBNZGVREM-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chlorothieno[2,3-d]pyrimidine 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[2,3-d]pyrimidine?
The IUPAC name of 4-chlorothieno[2,3-d]pyrimidine (CID 736618) is 4-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chlorothieno[2,3-d]pyrimidine is Clc1ncnc2sccc12.
What is the InChIKey of 4-chlorothieno[2,3-d]pyrimidine?
The InChIKey is NZCRUBBNZGVREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H.
What are the key properties of 4-chlorothieno[2,3-d]pyrimidine?
4-chlorothieno[2,3-d]pyrimidine has a molecular weight of 170.62 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 736618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).