thieno[2,3-d]pyrimidine-2,4-diamine

C6H6N4S — CID 14642747

IUPACthieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2ccsc2n1
InChIInChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)
InChIKeyWWNLEICCMKSWQV-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.86
Rot. Bonds

About thieno[2,3-d]pyrimidine-2,4-diamine

thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 14642747) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Namethieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID14642747
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Namethieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2ccsc2n1
InChIInChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)
InChIKeyWWNLEICCMKSWQV-UHFFFAOYSA-N
XLogP0.86
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze thieno[2,3-d]pyrimidine-2,4-diamine 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 thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of thieno[2,3-d]pyrimidine-2,4-diamine (CID 14642747) is thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2ccsc2n1.
What is the InChIKey of thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WWNLEICCMKSWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10).
What are the key properties of thieno[2,3-d]pyrimidine-2,4-diamine?
thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 166.21 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 14642747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).