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

C11H13N3O2S — CID 659391

IUPAC(2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(N[C@@H](C)C(=O)O)ncnc2s1
InChIInChI=1S/C11H13N3O2S/c1-3-7-4-8-9(14-6(2)11(15)16)12-5-13-10(8)17-7/h4-6H,3H2,1-2H3,(H,15,16)(H,12,13,14)/t6-/m0/s1
InChIKeyHHQJHXPNMNLJNS-LURJTMIESA-N
MW251.31 g/mol
LogP2.14
Rot. Bonds4

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

(2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 659391) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID659391
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(N[C@@H](C)C(=O)O)ncnc2s1
InChIInChI=1S/C11H13N3O2S/c1-3-7-4-8-9(14-6(2)11(15)16)12-5-13-10(8)17-7/h4-6H,3H2,1-2H3,(H,15,16)(H,12,13,14)/t6-/m0/s1
InChIKeyHHQJHXPNMNLJNS-LURJTMIESA-N
XLogP2.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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 (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 659391) is (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CCc1cc2c(N[C@@H](C)C(=O)O)ncnc2s1.
What is the InChIKey of (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is HHQJHXPNMNLJNS-LURJTMIESA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-7-4-8-9(14-6(2)11(15)16)12-5-13-10(8)17-7/h4-6H,3H2,1-2H3,(H,15,16)(H,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
(2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 659391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).