[3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

C11H13F2N3O2S — CID 175970589

IUPAC[3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESO=S1CCc2ncnc(NC3(CO)CC(F)(F)C3)c21
InChIInChI=1S/C11H13F2N3O2S/c12-11(13)3-10(4-11,5-17)16-9-8-7(14-6-15-9)1-2-19(8)18/h6,17H,1-5H2,(H,14,15,16)
InChIKeyIWJHDGQPVBMWDW-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.71
Rot. Bonds3

About [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

[3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (PubChem CID 175970589) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
PubChem CID175970589
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name[3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESO=S1CCc2ncnc(NC3(CO)CC(F)(F)C3)c21
InChIInChI=1S/C11H13F2N3O2S/c12-11(13)3-10(4-11,5-17)16-9-8-7(14-6-15-9)1-2-19(8)18/h6,17H,1-5H2,(H,14,15,16)
InChIKeyIWJHDGQPVBMWDW-UHFFFAOYSA-N
XLogP0.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol 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 [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The IUPAC name of [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (CID 175970589) is [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is O=S1CCc2ncnc(NC3(CO)CC(F)(F)C3)c21.
What is the InChIKey of [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The InChIKey is IWJHDGQPVBMWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c12-11(13)3-10(4-11,5-17)16-9-8-7(14-6-15-9)1-2-19(8)18/h6,17H,1-5H2,(H,14,15,16).
What are the key properties of [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
[3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol has a molecular weight of 289.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-[(5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 175970589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).