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

C12H12N6 — CID 46214482

IUPAC6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESCc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C12H12N6/c1-6-4-9(16-12(14)15-6)7-2-3-8-10(5-7)17-18-11(8)13/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16)
InChIKeyJZOJBOMGNJTZMY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.49
Rot. Bonds1

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

6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 46214482) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID46214482
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESCc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C12H12N6/c1-6-4-9(16-12(14)15-6)7-2-3-8-10(5-7)17-18-11(8)13/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16)
InChIKeyJZOJBOMGNJTZMY-UHFFFAOYSA-N
XLogP1.49
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine (CID 46214482) is 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine is Cc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is JZOJBOMGNJTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-6-4-9(16-12(14)15-6)7-2-3-8-10(5-7)17-18-11(8)13/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16).
What are the key properties of 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine?
6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-methylpyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 46214482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).