1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol

C10H12N2OS — CID 63201246

IUPAC1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol
SMILESCCC(O)Cc1ncnc2sccc12
InChIInChI=1S/C10H12N2OS/c1-2-7(13)5-9-8-3-4-14-10(8)12-6-11-9/h3-4,6-7,13H,2,5H2,1H3
InChIKeyXXMJEKDGDROMTQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.00
Rot. Bonds3

About 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol

1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol (PubChem CID 63201246) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol
PubChem CID63201246
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol
SMILESCCC(O)Cc1ncnc2sccc12
InChIInChI=1S/C10H12N2OS/c1-2-7(13)5-9-8-3-4-14-10(8)12-6-11-9/h3-4,6-7,13H,2,5H2,1H3
InChIKeyXXMJEKDGDROMTQ-UHFFFAOYSA-N
XLogP2.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol 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 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol?
The IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol (CID 63201246) is 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol.
What is the SMILES notation for 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol?
The canonical SMILES for 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol is CCC(O)Cc1ncnc2sccc12.
What is the InChIKey of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol?
The InChIKey is XXMJEKDGDROMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-7(13)5-9-8-3-4-14-10(8)12-6-11-9/h3-4,6-7,13H,2,5H2,1H3.
What are the key properties of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol?
1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol has a molecular weight of 208.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-ol is sourced from PubChem (CID 63201246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).