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

C11H9F2N3O2S — CID 67969825

IUPAC4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1csc2c(NC3CC(F)(F)C3)ncnc12
InChIInChI=1S/C11H9F2N3O2S/c12-11(13)1-5(2-11)16-9-8-7(14-4-15-9)6(3-19-8)10(17)18/h3-5H,1-2H2,(H,17,18)(H,14,15,16)
InChIKeyXDWPFFVOUYXMGU-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.60
Rot. Bonds3

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

4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 67969825) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID67969825
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.27 g/mol
Exact Mass285.04
IUPAC Name4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1csc2c(NC3CC(F)(F)C3)ncnc12
InChIInChI=1S/C11H9F2N3O2S/c12-11(13)1-5(2-11)16-9-8-7(14-4-15-9)6(3-19-8)10(17)18/h3-5H,1-2H2,(H,17,18)(H,14,15,16)
InChIKeyXDWPFFVOUYXMGU-UHFFFAOYSA-N
XLogP2.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid (CID 67969825) is 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid is O=C(O)c1csc2c(NC3CC(F)(F)C3)ncnc12.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is XDWPFFVOUYXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-11(13)1-5(2-11)16-9-8-7(14-4-15-9)6(3-19-8)10(17)18/h3-5H,1-2H2,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)amino]thieno[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 67969825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).