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

C11H13N3O2S — CID 647613

IUPAC3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(NCCC(=O)O)ncnc2s1
InChIInChI=1S/C11H13N3O2S/c1-2-7-5-8-10(12-4-3-9(15)16)13-6-14-11(8)17-7/h5-6H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyFRKLHYPYUBUYJK-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.14
Rot. Bonds5

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

3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 647613) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID647613
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(NCCC(=O)O)ncnc2s1
InChIInChI=1S/C11H13N3O2S/c1-2-7-5-8-10(12-4-3-9(15)16)13-6-14-11(8)17-7/h5-6H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyFRKLHYPYUBUYJK-UHFFFAOYSA-N
XLogP2.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 647613) is 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CCc1cc2c(NCCC(=O)O)ncnc2s1.
What is the InChIKey of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is FRKLHYPYUBUYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-7-5-8-10(12-4-3-9(15)16)13-6-14-11(8)17-7/h5-6H,2-4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 647613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).