5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine

C12H9BrN4S — CID 69055204

IUPAC5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine
SMILESNc1ccc(-c2c(Br)sc3ncnc(N)c23)cc1
InChIInChI=1S/C12H9BrN4S/c13-10-8(6-1-3-7(14)4-2-6)9-11(15)16-5-17-12(9)18-10/h1-5H,14H2,(H2,15,16,17)
InChIKeyCLRTYNKKZFXQNF-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.29
Rot. Bonds1

About 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine

5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine (PubChem CID 69055204) has the molecular formula C12H9BrN4S and a molecular weight of 321.20 g/mol. Its IUPAC name is 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine
PubChem CID69055204
Molecular FormulaC12H9BrN4S
Molecular Weight321.20 g/mol
Exact Mass319.97
IUPAC Name5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine
SMILESNc1ccc(-c2c(Br)sc3ncnc(N)c23)cc1
InChIInChI=1S/C12H9BrN4S/c13-10-8(6-1-3-7(14)4-2-6)9-11(15)16-5-17-12(9)18-10/h1-5H,14H2,(H2,15,16,17)
InChIKeyCLRTYNKKZFXQNF-UHFFFAOYSA-N
XLogP3.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine (CID 69055204) is 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine is Nc1ccc(-c2c(Br)sc3ncnc(N)c23)cc1.
What is the InChIKey of 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CLRTYNKKZFXQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4S/c13-10-8(6-1-3-7(14)4-2-6)9-11(15)16-5-17-12(9)18-10/h1-5H,14H2,(H2,15,16,17).
What are the key properties of 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine?
5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.20 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69055204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).