6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine

C23H25N7O — CID 174581810

IUPAC6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
SMILESCN(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C23H25N7O/c1-29(2)18-7-3-16(4-8-18)20-21-22(25-15-24-21)28-23(27-20)26-17-5-9-19(10-6-17)30-11-13-31-14-12-30/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyJAJFTKICZSAFAS-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.67
Rot. Bonds5

About 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine

6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine (PubChem CID 174581810) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
PubChem CID174581810
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
SMILESCN(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C23H25N7O/c1-29(2)18-7-3-16(4-8-18)20-21-22(25-15-24-21)28-23(27-20)26-17-5-9-19(10-6-17)30-11-13-31-14-12-30/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyJAJFTKICZSAFAS-UHFFFAOYSA-N
XLogP3.67
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine (CID 174581810) is 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine is CN(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine?
The InChIKey is JAJFTKICZSAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-29(2)18-7-3-16(4-8-18)20-21-22(25-15-24-21)28-23(27-20)26-17-5-9-19(10-6-17)30-11-13-31-14-12-30/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine?
6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine is sourced from PubChem (CID 174581810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).