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

C13H12N4S — CID 6539968

IUPAC5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N)c2c1-c1ccc(N)cc1
InChIInChI=1S/C13H12N4S/c1-7-10(8-2-4-9(14)5-3-8)11-12(15)16-6-17-13(11)18-7/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyXEYSOBWTYDZKAV-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.83
Rot. Bonds1

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

5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 6539968) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID6539968
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N)c2c1-c1ccc(N)cc1
InChIInChI=1S/C13H12N4S/c1-7-10(8-2-4-9(14)5-3-8)11-12(15)16-6-17-13(11)18-7/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyXEYSOBWTYDZKAV-UHFFFAOYSA-N
XLogP2.83
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.83
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-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 6539968) is 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N)c2c1-c1ccc(N)cc1.
What is the InChIKey of 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XEYSOBWTYDZKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-7-10(8-2-4-9(14)5-3-8)11-12(15)16-6-17-13(11)18-7/h2-6H,14H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 2.83, 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-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 6539968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).