2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

C11H13N3O2S — CID 3161773

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1sc2ncnc(NC(C)C(=O)O)c2c1C
InChIInChI=1S/C11H13N3O2S/c1-5-7(3)17-10-8(5)9(12-4-13-10)14-6(2)11(15)16/h4,6H,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyLNPUNNQQEDZGFY-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.19
Rot. Bonds3

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 3161773) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID3161773
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1sc2ncnc(NC(C)C(=O)O)c2c1C
InChIInChI=1S/C11H13N3O2S/c1-5-7(3)17-10-8(5)9(12-4-13-10)14-6(2)11(15)16/h4,6H,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyLNPUNNQQEDZGFY-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid 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-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 3161773) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is Cc1sc2ncnc(NC(C)C(=O)O)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is LNPUNNQQEDZGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-5-7(3)17-10-8(5)9(12-4-13-10)14-6(2)11(15)16/h4,6H,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 3161773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).