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

Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 10410148
3-hydrazinyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401261

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).