2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

C15H11N5S — CID 127035004

IUPAC2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
InChIKeyXXEHHKXNADFXES-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.13
Rot. Bonds2

About 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127035004) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127035004
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
InChIKeyXXEHHKXNADFXES-UHFFFAOYSA-N
XLogP3.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-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-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (CID 127035004) is 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is XXEHHKXNADFXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18).
What are the key properties of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 293.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127035004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).