4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine

C15H12N6S — CID 46224690

IUPAC4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3[nH]nc(-c4ccsc4)c3c2)n1
InChIInChI=1S/C15H12N6S/c16-15-17-5-3-13(19-15)18-10-1-2-12-11(7-10)14(21-20-12)9-4-6-22-8-9/h1-8H,(H,20,21)(H3,16,17,18,19)
InChIKeyHGKSWPMTSBTIJQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.41
Rot. Bonds3

About 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine

4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 46224690) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
PubChem CID46224690
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3[nH]nc(-c4ccsc4)c3c2)n1
InChIInChI=1S/C15H12N6S/c16-15-17-5-3-13(19-15)18-10-1-2-12-11(7-10)14(21-20-12)9-4-6-22-8-9/h1-8H,(H,20,21)(H3,16,17,18,19)
InChIKeyHGKSWPMTSBTIJQ-UHFFFAOYSA-N
XLogP3.41
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine 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 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine (CID 46224690) is 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc3[nH]nc(-c4ccsc4)c3c2)n1.
What is the InChIKey of 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is HGKSWPMTSBTIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c16-15-17-5-3-13(19-15)18-10-1-2-12-11(7-10)14(21-20-12)9-4-6-22-8-9/h1-8H,(H,20,21)(H3,16,17,18,19).
What are the key properties of 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 308.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 46224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).