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

C12H10N4S — CID 46738571

IUPAC5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1cccc(-c2csc3ncnc(N)c23)c1
InChIInChI=1S/C12H10N4S/c13-8-3-1-2-7(4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H,13H2,(H2,14,15,16)
InChIKeyIHQOXPFGXUYJBD-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.52
Rot. Bonds1

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

5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46738571) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID46738571
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1cccc(-c2csc3ncnc(N)c23)c1
InChIInChI=1S/C12H10N4S/c13-8-3-1-2-7(4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H,13H2,(H2,14,15,16)
InChIKeyIHQOXPFGXUYJBD-UHFFFAOYSA-N
XLogP2.52
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.52
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-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 46738571) is 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine is Nc1cccc(-c2csc3ncnc(N)c23)c1.
What is the InChIKey of 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IHQOXPFGXUYJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-8-3-1-2-7(4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H,13H2,(H2,14,15,16).
What are the key properties of 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46738571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).