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

C9H8FN3O2S — CID 88536496

IUPAC4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1csc2c(NCCF)ncnc12
InChIInChI=1S/C9H8FN3O2S/c10-1-2-11-8-7-6(12-4-13-8)5(3-16-7)9(14)15/h3-4H,1-2H2,(H,14,15)(H,11,12,13)
InChIKeyCZJRFGPKUYGOAZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.77
Rot. Bonds4

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

4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 88536496) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID88536496
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC Name4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1csc2c(NCCF)ncnc12
InChIInChI=1S/C9H8FN3O2S/c10-1-2-11-8-7-6(12-4-13-8)5(3-16-7)9(14)15/h3-4H,1-2H2,(H,14,15)(H,11,12,13)
InChIKeyCZJRFGPKUYGOAZ-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid (CID 88536496) is 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid is O=C(O)c1csc2c(NCCF)ncnc12.
What is the InChIKey of 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is CZJRFGPKUYGOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c10-1-2-11-8-7-6(12-4-13-8)5(3-16-7)9(14)15/h3-4H,1-2H2,(H,14,15)(H,11,12,13).
What are the key properties of 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid?
4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 88536496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).