4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine

C15H12N6S — CID 46224700

IUPAC4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3ccsc3)c3[nH]ncc3c2)n1
InChIInChI=1S/C15H12N6S/c16-15-17-3-1-13(20-15)19-11-5-10-7-18-21-14(10)12(6-11)9-2-4-22-8-9/h1-8H,(H,18,21)(H3,16,17,19,20)
InChIKeyPJTADZPJMSFJHE-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.41
Rot. Bonds3

About 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine

4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 46224700) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
PubChem CID46224700
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3ccsc3)c3[nH]ncc3c2)n1
InChIInChI=1S/C15H12N6S/c16-15-17-3-1-13(20-15)19-11-5-10-7-18-21-14(10)12(6-11)9-2-4-22-8-9/h1-8H,(H,18,21)(H3,16,17,19,20)
InChIKeyPJTADZPJMSFJHE-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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine (CID 46224700) is 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine is Nc1nccc(Nc2cc(-c3ccsc3)c3[nH]ncc3c2)n1.
What is the InChIKey of 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is PJTADZPJMSFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c16-15-17-3-1-13(20-15)19-11-5-10-7-18-21-14(10)12(6-11)9-2-4-22-8-9/h1-8H,(H,18,21)(H3,16,17,19,20).
What are the key properties of 4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
4-N-(7-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-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 46224700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).