N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine

C15H16N6 — CID 60876484

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
SMILESNc1ccc(CN(c2ncnc3nc[nH]c23)C2CC2)cc1
InChIInChI=1S/C15H16N6/c16-11-3-1-10(2-4-11)7-21(12-5-6-12)15-13-14(18-8-17-13)19-9-20-15/h1-4,8-9,12H,5-7,16H2,(H,17,18,19,20)
InChIKeyJAEVJVWVGAISSW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.10
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine

N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine (PubChem CID 60876484) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
PubChem CID60876484
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
SMILESNc1ccc(CN(c2ncnc3nc[nH]c23)C2CC2)cc1
InChIInChI=1S/C15H16N6/c16-11-3-1-10(2-4-11)7-21(12-5-6-12)15-13-14(18-8-17-13)19-9-20-15/h1-4,8-9,12H,5-7,16H2,(H,17,18,19,20)
InChIKeyJAEVJVWVGAISSW-UHFFFAOYSA-N
XLogP2.10
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine (CID 60876484) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine is Nc1ccc(CN(c2ncnc3nc[nH]c23)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine?
The InChIKey is JAEVJVWVGAISSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-11-3-1-10(2-4-11)7-21(12-5-6-12)15-13-14(18-8-17-13)19-9-20-15/h1-4,8-9,12H,5-7,16H2,(H,17,18,19,20).
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine has a molecular weight of 280.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine is sourced from PubChem (CID 60876484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).