8-(3,5-dimethylphenyl)-7H-purin-6-amine

C13H13N5 — CID 114608308

IUPAC8-(3,5-dimethylphenyl)-7H-purin-6-amine
SMILESCc1cc(C)cc(-c2nc3ncnc(N)c3[nH]2)c1
InChIInChI=1S/C13H13N5/c1-7-3-8(2)5-9(4-7)12-17-10-11(14)15-6-16-13(10)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyRCFMNUUJQROMMQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds1

About 8-(3,5-dimethylphenyl)-7H-purin-6-amine

8-(3,5-dimethylphenyl)-7H-purin-6-amine (PubChem CID 114608308) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 8-(3,5-dimethylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3,5-dimethylphenyl)-7H-purin-6-amine
PubChem CID114608308
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name8-(3,5-dimethylphenyl)-7H-purin-6-amine
SMILESCc1cc(C)cc(-c2nc3ncnc(N)c3[nH]2)c1
InChIInChI=1S/C13H13N5/c1-7-3-8(2)5-9(4-7)12-17-10-11(14)15-6-16-13(10)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyRCFMNUUJQROMMQ-UHFFFAOYSA-N
XLogP2.22
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321
8-(3-iodophenyl)-7H-purin-6-amine
CID 114608191
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
CID 137003605
8-[4-(chloromethyl)phenyl]-7H-purin-6-amine
CID 114608101
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
8-methylsulfanyl-7H-purin-6-amine
CID 935524
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylphenyl)-7H-purin-6-amine?
The IUPAC name of 8-(3,5-dimethylphenyl)-7H-purin-6-amine (CID 114608308) is 8-(3,5-dimethylphenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3,5-dimethylphenyl)-7H-purin-6-amine?
The canonical SMILES for 8-(3,5-dimethylphenyl)-7H-purin-6-amine is Cc1cc(C)cc(-c2nc3ncnc(N)c3[nH]2)c1.
What is the InChIKey of 8-(3,5-dimethylphenyl)-7H-purin-6-amine?
The InChIKey is RCFMNUUJQROMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-7-3-8(2)5-9(4-7)12-17-10-11(14)15-6-16-13(10)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 8-(3,5-dimethylphenyl)-7H-purin-6-amine?
8-(3,5-dimethylphenyl)-7H-purin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 114608308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).