8-(4-amino-3-methylphenyl)-7H-purin-6-amine

C12H12N6 — CID 114608073

IUPAC8-(4-amino-3-methylphenyl)-7H-purin-6-amine
SMILESCc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1N
InChIInChI=1S/C12H12N6/c1-6-4-7(2-3-8(6)13)11-17-9-10(14)15-5-16-12(9)18-11/h2-5H,13H2,1H3,(H3,14,15,16,17,18)
InChIKeyQJERCDHTYUHMQU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.49
Rot. Bonds1

About 8-(4-amino-3-methylphenyl)-7H-purin-6-amine

8-(4-amino-3-methylphenyl)-7H-purin-6-amine (PubChem CID 114608073) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 8-(4-amino-3-methylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(4-amino-3-methylphenyl)-7H-purin-6-amine
PubChem CID114608073
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name8-(4-amino-3-methylphenyl)-7H-purin-6-amine
SMILESCc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1N
InChIInChI=1S/C12H12N6/c1-6-4-7(2-3-8(6)13)11-17-9-10(14)15-5-16-12(9)18-11/h2-5H,13H2,1H3,(H3,14,15,16,17,18)
InChIKeyQJERCDHTYUHMQU-UHFFFAOYSA-N
XLogP1.49
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(3-iodophenyl)-7H-purin-6-amine
CID 114608191
8-[4-(chloromethyl)phenyl]-7H-purin-6-amine
CID 114608101
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589
2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821458
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
CID 137003605
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833

Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-3-methylphenyl)-7H-purin-6-amine?
The IUPAC name of 8-(4-amino-3-methylphenyl)-7H-purin-6-amine (CID 114608073) is 8-(4-amino-3-methylphenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(4-amino-3-methylphenyl)-7H-purin-6-amine?
The canonical SMILES for 8-(4-amino-3-methylphenyl)-7H-purin-6-amine is Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1N.
What is the InChIKey of 8-(4-amino-3-methylphenyl)-7H-purin-6-amine?
The InChIKey is QJERCDHTYUHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-6-4-7(2-3-8(6)13)11-17-9-10(14)15-5-16-12(9)18-11/h2-5H,13H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 8-(4-amino-3-methylphenyl)-7H-purin-6-amine?
8-(4-amino-3-methylphenyl)-7H-purin-6-amine has a molecular weight of 240.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-amino-3-methylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 114608073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).