2-(3-aminophenyl)-N-propyl-7H-purin-6-amine

C14H16N6 — CID 117090188

IUPAC2-(3-aminophenyl)-N-propyl-7H-purin-6-amine
SMILESCCCNc1nc(-c2cccc(N)c2)nc2nc[nH]c12
InChIInChI=1S/C14H16N6/c1-2-6-16-13-11-14(18-8-17-11)20-12(19-13)9-4-3-5-10(15)7-9/h3-5,7-8H,2,6,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyADURSJYMLVKGAN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine

2-(3-aminophenyl)-N-propyl-7H-purin-6-amine (PubChem CID 117090188) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-propyl-7H-purin-6-amine
PubChem CID117090188
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-(3-aminophenyl)-N-propyl-7H-purin-6-amine
SMILESCCCNc1nc(-c2cccc(N)c2)nc2nc[nH]c12
InChIInChI=1S/C14H16N6/c1-2-6-16-13-11-14(18-8-17-11)20-12(19-13)9-4-3-5-10(15)7-9/h3-5,7-8H,2,6,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyADURSJYMLVKGAN-UHFFFAOYSA-N
XLogP2.42
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine?
The IUPAC name of 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine (CID 117090188) is 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine.
What is the SMILES notation for 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine?
The canonical SMILES for 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine is CCCNc1nc(-c2cccc(N)c2)nc2nc[nH]c12.
What is the InChIKey of 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine?
The InChIKey is ADURSJYMLVKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-6-16-13-11-14(18-8-17-11)20-12(19-13)9-4-3-5-10(15)7-9/h3-5,7-8H,2,6,15H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine?
2-(3-aminophenyl)-N-propyl-7H-purin-6-amine has a molecular weight of 268.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-propyl-7H-purin-6-amine is sourced from PubChem (CID 117090188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).