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

C12H15N3O2S — CID 654691

IUPAC3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(NCCC(=O)O)nc(C)nc2s1
InChIInChI=1S/C12H15N3O2S/c1-3-8-6-9-11(13-5-4-10(16)17)14-7(2)15-12(9)18-8/h6H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyOUGFIJKNYWLKDZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.45
Rot. Bonds5

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

3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 654691) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID654691
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(NCCC(=O)O)nc(C)nc2s1
InChIInChI=1S/C12H15N3O2S/c1-3-8-6-9-11(13-5-4-10(16)17)14-7(2)15-12(9)18-8/h6H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyOUGFIJKNYWLKDZ-UHFFFAOYSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
4-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 16610321
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid
CID 28853946
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 39085002
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
CID 39081926
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 6487537
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
CID 39081894
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 39085005
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
CID 28853924

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 654691) is 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CCc1cc2c(NCCC(=O)O)nc(C)nc2s1.
What is the InChIKey of 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is OUGFIJKNYWLKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-8-6-9-11(13-5-4-10(16)17)14-7(2)15-12(9)18-8/h6H,3-5H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 265.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 654691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).