6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine

C17H14N6 — CID 46214481

IUPAC6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1nc(-c2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C17H14N6/c18-16-12-7-6-11(8-15(12)22-23-16)14-9-13(20-17(19)21-14)10-4-2-1-3-5-10/h1-9H,(H3,18,22,23)(H2,19,20,21)
InChIKeyNQVSRBQAHLEDFP-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.85
Rot. Bonds2

About 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine

6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 46214481) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID46214481
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1nc(-c2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C17H14N6/c18-16-12-7-6-11(8-15(12)22-23-16)14-9-13(20-17(19)21-14)10-4-2-1-3-5-10/h1-9H,(H3,18,22,23)(H2,19,20,21)
InChIKeyNQVSRBQAHLEDFP-UHFFFAOYSA-N
XLogP2.85
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-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 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine (CID 46214481) is 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine is Nc1nc(-c2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1.
What is the InChIKey of 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is NQVSRBQAHLEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c18-16-12-7-6-11(8-15(12)22-23-16)14-9-13(20-17(19)21-14)10-4-2-1-3-5-10/h1-9H,(H3,18,22,23)(H2,19,20,21).
What are the key properties of 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine?
6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 302.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-phenylpyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 46214481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).