6-phenylthieno[3,2-d]pyrimidin-4-amine

C12H9N3S — CID 11499583

IUPAC6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
InChIKeyWQVHTLKGGYMXIO-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

About 6-phenylthieno[3,2-d]pyrimidin-4-amine

6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 11499583) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID11499583
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
InChIKeyWQVHTLKGGYMXIO-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 11499583) is 6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenylthieno[3,2-d]pyrimidin-4-amine is Nc1ncnc2cc(-c3ccccc3)sc12.
What is the InChIKey of 6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WQVHTLKGGYMXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15).
What are the key properties of 6-phenylthieno[3,2-d]pyrimidin-4-amine?
6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11499583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).