6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one

C12H15BrN2O2S — CID 18784609

IUPAC6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1nc2sc(Br)cc2c(=O)n1CCC
InChIInChI=1S/C12H15BrN2O2S/c1-3-5-15-11(16)8-7-9(13)18-10(8)14-12(15)17-6-4-2/h7H,3-6H2,1-2H3
InChIKeySHIIIVHYHHZLFW-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.42
Rot. Bonds5

About 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one

6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 18784609) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID18784609
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1nc2sc(Br)cc2c(=O)n1CCC
InChIInChI=1S/C12H15BrN2O2S/c1-3-5-15-11(16)8-7-9(13)18-10(8)14-12(15)17-6-4-2/h7H,3-6H2,1-2H3
InChIKeySHIIIVHYHHZLFW-UHFFFAOYSA-N
XLogP3.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-propoxy-3-propylthieno[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 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one (CID 18784609) is 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one is CCCOc1nc2sc(Br)cc2c(=O)n1CCC.
What is the InChIKey of 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is SHIIIVHYHHZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-3-5-15-11(16)8-7-9(13)18-10(8)14-12(15)17-6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 331.24 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18784609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).