3H-thieno[2,3-d]pyrimidin-4-one

C6H4N2OS — CID 2808547

IUPAC3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2sccc12
InChIInChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
InChIKeyJEDVKUHCDPPWNR-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.98
Rot. Bonds

About 3H-thieno[2,3-d]pyrimidin-4-one

3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2808547) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2808547
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2sccc12
InChIInChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
InChIKeyJEDVKUHCDPPWNR-UHFFFAOYSA-N
XLogP0.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3H-thieno[2,3-d]pyrimidin-4-one 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 3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3H-thieno[2,3-d]pyrimidin-4-one (CID 2808547) is 3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2sccc12.
What is the InChIKey of 3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JEDVKUHCDPPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9).
What are the key properties of 3H-thieno[2,3-d]pyrimidin-4-one?
3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 152.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2808547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).