8-(2-ethylphenyl)-7H-purin-6-amine

C13H13N5 — CID 114608258

IUPAC8-(2-ethylphenyl)-7H-purin-6-amine
SMILESCCc1ccccc1-c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C13H13N5/c1-2-8-5-3-4-6-9(8)12-17-10-11(14)15-7-16-13(10)18-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyLTNSSWBTIZOLMI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.16
Rot. Bonds2

About 8-(2-ethylphenyl)-7H-purin-6-amine

8-(2-ethylphenyl)-7H-purin-6-amine (PubChem CID 114608258) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 8-(2-ethylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(2-ethylphenyl)-7H-purin-6-amine
PubChem CID114608258
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name8-(2-ethylphenyl)-7H-purin-6-amine
SMILESCCc1ccccc1-c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C13H13N5/c1-2-8-5-3-4-6-9(8)12-17-10-11(14)15-7-16-13(10)18-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyLTNSSWBTIZOLMI-UHFFFAOYSA-N
XLogP2.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(2-ethylphenyl)-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-quinolin-4-yl-7H-purin-6-amine
CID 114608196
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-[2-fluoro-3-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608409
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-pyren-1-yl-7H-purin-6-amine
CID 16732486
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylphenyl)-7H-purin-6-amine?
The IUPAC name of 8-(2-ethylphenyl)-7H-purin-6-amine (CID 114608258) is 8-(2-ethylphenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(2-ethylphenyl)-7H-purin-6-amine?
The canonical SMILES for 8-(2-ethylphenyl)-7H-purin-6-amine is CCc1ccccc1-c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(2-ethylphenyl)-7H-purin-6-amine?
The InChIKey is LTNSSWBTIZOLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-8-5-3-4-6-9(8)12-17-10-11(14)15-7-16-13(10)18-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 8-(2-ethylphenyl)-7H-purin-6-amine?
8-(2-ethylphenyl)-7H-purin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 114608258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).