5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

C17H10BrN3OS — CID 28889218

IUPAC5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2scc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H10BrN3OS/c18-12-3-1-10(2-4-12)13-9-23-17-14(13)16(22)20-15(21-17)11-5-7-19-8-6-11/h1-9H,(H,20,21,22)
InChIKeyHAJCBZQBPHGSTG-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.48
Rot. Bonds2

About 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28889218) has the molecular formula C17H10BrN3OS and a molecular weight of 384.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28889218
Molecular FormulaC17H10BrN3OS
Molecular Weight384.26 g/mol
Exact Mass382.97
IUPAC Name5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2scc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H10BrN3OS/c18-12-3-1-10(2-4-12)13-9-23-17-14(13)16(22)20-15(21-17)11-5-7-19-8-6-11/h1-9H,(H,20,21,22)
InChIKeyHAJCBZQBPHGSTG-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-2-pyridin-4-yl-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 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28889218) is 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2scc(-c3ccc(Br)cc3)c12.
What is the InChIKey of 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HAJCBZQBPHGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3OS/c18-12-3-1-10(2-4-12)13-9-23-17-14(13)16(22)20-15(21-17)11-5-7-19-8-6-11/h1-9H,(H,20,21,22).
What are the key properties of 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 384.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28889218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).