1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine

C9H11N3S — CID 63196630

IUPAC1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
SMILESCC(N)Cc1ncnc2sccc12
InChIInChI=1S/C9H11N3S/c1-6(10)4-8-7-2-3-13-9(7)12-5-11-8/h2-3,5-6H,4,10H2,1H3
InChIKeyCRSNRIZSJVPKKL-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.58
Rot. Bonds2

About 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine

1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine (PubChem CID 63196630) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
PubChem CID63196630
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
SMILESCC(N)Cc1ncnc2sccc12
InChIInChI=1S/C9H11N3S/c1-6(10)4-8-7-2-3-13-9(7)12-5-11-8/h2-3,5-6H,4,10H2,1H3
InChIKeyCRSNRIZSJVPKKL-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine 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 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine?
The IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine (CID 63196630) is 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine.
What is the SMILES notation for 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine?
The canonical SMILES for 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine is CC(N)Cc1ncnc2sccc12.
What is the InChIKey of 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine?
The InChIKey is CRSNRIZSJVPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6(10)4-8-7-2-3-13-9(7)12-5-11-8/h2-3,5-6H,4,10H2,1H3.
What are the key properties of 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine?
1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine has a molecular weight of 193.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine is sourced from PubChem (CID 63196630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).