2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid

C10H11N3O2S — CID 61265918

IUPAC2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C10H11N3O2S/c1-10(2,9(14)15)13-7-6-3-4-16-8(6)12-5-11-7/h3-5H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyJBELTSDMXZTBSE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid

2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid (PubChem CID 61265918) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
PubChem CID61265918
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C10H11N3O2S/c1-10(2,9(14)15)13-7-6-3-4-16-8(6)12-5-11-7/h3-5H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyJBELTSDMXZTBSE-UHFFFAOYSA-N
XLogP1.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid (CID 61265918) is 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid is CC(C)(Nc1ncnc2sccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid?
The InChIKey is JBELTSDMXZTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-10(2,9(14)15)13-7-6-3-4-16-8(6)12-5-11-7/h3-5H,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid?
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid is sourced from PubChem (CID 61265918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).