4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid

C11H14N4O2S — CID 90019827

IUPAC4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESCN(C)CCNc1ncnc2c(C(=O)O)csc12
InChIInChI=1S/C11H14N4O2S/c1-15(2)4-3-12-10-9-8(13-6-14-10)7(5-18-9)11(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyJEQJYGSTEMUDKA-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.36
Rot. Bonds5

About 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid

4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 90019827) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID90019827
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESCN(C)CCNc1ncnc2c(C(=O)O)csc12
InChIInChI=1S/C11H14N4O2S/c1-15(2)4-3-12-10-9-8(13-6-14-10)7(5-18-9)11(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyJEQJYGSTEMUDKA-UHFFFAOYSA-N
XLogP1.36
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid (CID 90019827) is 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid is CN(C)CCNc1ncnc2c(C(=O)O)csc12.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is JEQJYGSTEMUDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15(2)4-3-12-10-9-8(13-6-14-10)7(5-18-9)11(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)(H,12,13,14).
What are the key properties of 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 266.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 90019827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).