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

C15H17N7O — CID 46214653

IUPAC6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H17N7O/c16-14-10-2-1-9(7-12(10)20-21-14)11-8-13(19-15(17)18-11)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H3,16,20,21)(H2,17,18,19)
InChIKeyIBSXLFOFZRSWEZ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.02
Rot. Bonds2

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

6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 46214653) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID46214653
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H17N7O/c16-14-10-2-1-9(7-12(10)20-21-14)11-8-13(19-15(17)18-11)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H3,16,20,21)(H2,17,18,19)
InChIKeyIBSXLFOFZRSWEZ-UHFFFAOYSA-N
XLogP1.02
TPSA118.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine (CID 46214653) is 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine is Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOCC2)n1.
What is the InChIKey of 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is IBSXLFOFZRSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c16-14-10-2-1-9(7-12(10)20-21-14)11-8-13(19-15(17)18-11)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H3,16,20,21)(H2,17,18,19).
What are the key properties of 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 311.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 46214653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).