2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H9BrClN3S — CID 83201182

IUPAC2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)cc2Br)nc2c1CSC2
InChIInChI=1S/C12H9BrClN3S/c13-9-3-6(14)1-2-7(9)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
InChIKeyJFZLJOBPXNJDMA-UHFFFAOYSA-N
MW342.65 g/mol
LogP3.89
Rot. Bonds1

About 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83201182) has the molecular formula C12H9BrClN3S and a molecular weight of 342.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83201182
Molecular FormulaC12H9BrClN3S
Molecular Weight342.65 g/mol
Exact Mass340.94
IUPAC Name2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)cc2Br)nc2c1CSC2
InChIInChI=1S/C12H9BrClN3S/c13-9-3-6(14)1-2-7(9)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
InChIKeyJFZLJOBPXNJDMA-UHFFFAOYSA-N
XLogP3.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine 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 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83201182) is 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc(Cl)cc2Br)nc2c1CSC2.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is JFZLJOBPXNJDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3S/c13-9-3-6(14)1-2-7(9)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2,(H2,15,16,17).
What are the key properties of 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 342.65 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83201182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).