2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine

C9H12N4S — CID 63732565

IUPAC2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
SMILESCC(CN)Nc1ncnc2sccc12
InChIInChI=1S/C9H12N4S/c1-6(4-10)13-8-7-2-3-14-9(7)12-5-11-8/h2-3,5-6H,4,10H2,1H3,(H,11,12,13)
InChIKeyBHWICDAUKJJJKO-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.45
Rot. Bonds3

About 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine

2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine (PubChem CID 63732565) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
PubChem CID63732565
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
SMILESCC(CN)Nc1ncnc2sccc12
InChIInChI=1S/C9H12N4S/c1-6(4-10)13-8-7-2-3-14-9(7)12-5-11-8/h2-3,5-6H,4,10H2,1H3,(H,11,12,13)
InChIKeyBHWICDAUKJJJKO-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-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 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
The IUPAC name of 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine (CID 63732565) is 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine is CC(CN)Nc1ncnc2sccc12.
What is the InChIKey of 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
The InChIKey is BHWICDAUKJJJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6(4-10)13-8-7-2-3-14-9(7)12-5-11-8/h2-3,5-6H,4,10H2,1H3,(H,11,12,13).
What are the key properties of 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine has a molecular weight of 208.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 63732565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).