N-(4-ethylphenyl)-7H-purin-6-amine

C13H13N5 — CID 2155026

IUPACN-(4-ethylphenyl)-7H-purin-6-amine
SMILESCCc1ccc(Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5/c1-2-9-3-5-10(6-4-9)18-13-11-12(15-7-14-11)16-8-17-13/h3-8H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyMBYJLFVZNNIGBA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.66
Rot. Bonds3

About N-(4-ethylphenyl)-7H-purin-6-amine

N-(4-ethylphenyl)-7H-purin-6-amine (PubChem CID 2155026) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7H-purin-6-amine
PubChem CID2155026
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-(4-ethylphenyl)-7H-purin-6-amine
SMILESCCc1ccc(Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5/c1-2-9-3-5-10(6-4-9)18-13-11-12(15-7-14-11)16-8-17-13/h3-8H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyMBYJLFVZNNIGBA-UHFFFAOYSA-N
XLogP2.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7H-purin-6-amine?
The IUPAC name of N-(4-ethylphenyl)-7H-purin-6-amine (CID 2155026) is N-(4-ethylphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(4-ethylphenyl)-7H-purin-6-amine?
The canonical SMILES for N-(4-ethylphenyl)-7H-purin-6-amine is CCc1ccc(Nc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7H-purin-6-amine?
The InChIKey is MBYJLFVZNNIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-9-3-5-10(6-4-9)18-13-11-12(15-7-14-11)16-8-17-13/h3-8H,2H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(4-ethylphenyl)-7H-purin-6-amine?
N-(4-ethylphenyl)-7H-purin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 2155026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).