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

C6H6N4S — CID 11535614

IUPACthieno[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2sccc2n1
InChIInChI=1S/C6H6N4S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H,(H4,7,8,9,10)
InChIKeyDDOGLFDVWVAUCT-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.86
Rot. Bonds

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

thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 11535614) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Namethieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID11535614
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Namethieno[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2sccc2n1
InChIInChI=1S/C6H6N4S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H,(H4,7,8,9,10)
InChIKeyDDOGLFDVWVAUCT-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

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of thieno[3,2-d]pyrimidine-2,4-diamine (CID 11535614) is thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for thieno[3,2-d]pyrimidine-2,4-diamine is Nc1nc(N)c2sccc2n1.
What is the InChIKey of thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DDOGLFDVWVAUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H,(H4,7,8,9,10).
What are the key properties of thieno[3,2-d]pyrimidine-2,4-diamine?
thieno[3,2-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[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 11535614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).