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

C12H9N3S — CID 62188326

IUPAC2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2sccc12
InChIInChI=1S/C12H9N3S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
InChIKeyVQUWVROZMNLFDC-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

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

2-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188326) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62188326
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2sccc12
InChIInChI=1S/C12H9N3S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
InChIKeyVQUWVROZMNLFDC-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

Analyze 2-phenylthieno[2,3-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-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-phenylthieno[2,3-d]pyrimidin-4-amine (CID 62188326) is 2-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-phenylthieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2)nc2sccc12.
What is the InChIKey of 2-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VQUWVROZMNLFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15).
What are the key properties of 2-phenylthieno[2,3-d]pyrimidin-4-amine?
2-phenylthieno[2,3-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 2-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).