4-(4-aminophenyl)aniline;7H-purin-6-amine

C17H17N7 — CID 160907606

IUPAC4-(4-aminophenyl)aniline;7H-purin-6-amine
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H12N2.C5H5N5/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;6-4-3-5(9-1-7-3)10-2-8-4/h1-8H,13-14H2;1-2H,(H3,6,7,8,9,10)
InChIKeySQIVFEUTWFAHDC-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.45
Rot. Bonds1

About 4-(4-aminophenyl)aniline;7H-purin-6-amine

4-(4-aminophenyl)aniline;7H-purin-6-amine (PubChem CID 160907606) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;7H-purin-6-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;7H-purin-6-amine
PubChem CID160907606
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name4-(4-aminophenyl)aniline;7H-purin-6-amine
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H12N2.C5H5N5/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;6-4-3-5(9-1-7-3)10-2-8-4/h1-8H,13-14H2;1-2H,(H3,6,7,8,9,10)
InChIKeySQIVFEUTWFAHDC-UHFFFAOYSA-N
XLogP2.45
TPSA132.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
methanol;7H-purin-6-amine
CID 67194832
bis(7H-purin-6-amine);sulfate
CID 23616791
benzamide;7H-purin-6-amine
CID 66705736
phenanthridine;7H-purin-6-amine
CID 90006324
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
5-aminopyridine-3-carboxamide;7H-purin-6-amine
CID 22262480
3-(7H-purin-6-yl)aniline
CID 71426821
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;7H-purin-6-amine?
The IUPAC name of 4-(4-aminophenyl)aniline;7H-purin-6-amine (CID 160907606) is 4-(4-aminophenyl)aniline;7H-purin-6-amine.
What is the SMILES notation for 4-(4-aminophenyl)aniline;7H-purin-6-amine?
The canonical SMILES for 4-(4-aminophenyl)aniline;7H-purin-6-amine is Nc1ccc(-c2ccc(N)cc2)cc1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 4-(4-aminophenyl)aniline;7H-purin-6-amine?
The InChIKey is SQIVFEUTWFAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C5H5N5/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;6-4-3-5(9-1-7-3)10-2-8-4/h1-8H,13-14H2;1-2H,(H3,6,7,8,9,10).
What are the key properties of 4-(4-aminophenyl)aniline;7H-purin-6-amine?
4-(4-aminophenyl)aniline;7H-purin-6-amine has a molecular weight of 319.37 g/mol, XLogP of 2.45, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;7H-purin-6-amine is sourced from PubChem (CID 160907606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).