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

C12H9N3S — CID 2477685

IUPACN-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3sccc23)cc1
InChIInChI=1S/C12H9N3S/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKeyRJMJJGAUIDTGFD-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.43
Rot. Bonds2

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

N-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2477685) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2477685
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC NameN-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3sccc23)cc1
InChIInChI=1S/C12H9N3S/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKeyRJMJJGAUIDTGFD-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-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 N-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2477685) is N-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(Nc2ncnc3sccc23)cc1.
What is the InChIKey of N-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RJMJJGAUIDTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H,(H,13,14,15).
What are the key properties of N-phenylthieno[2,3-d]pyrimidin-4-amine?
N-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 227.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2477685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).