8-(3-iodophenyl)-7H-purin-6-amine

C11H8IN5 — CID 114608191

IUPAC8-(3-iodophenyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3cccc(I)c3)[nH]c12
InChIInChI=1S/C11H8IN5/c12-7-3-1-2-6(4-7)10-16-8-9(13)14-5-15-11(8)17-10/h1-5H,(H3,13,14,15,16,17)
InChIKeyDNVCRLZFTLTTMY-UHFFFAOYSA-N
MW337.12 g/mol
LogP2.21
Rot. Bonds1

About 8-(3-iodophenyl)-7H-purin-6-amine

8-(3-iodophenyl)-7H-purin-6-amine (PubChem CID 114608191) has the molecular formula C11H8IN5 and a molecular weight of 337.12 g/mol. Its IUPAC name is 8-(3-iodophenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-iodophenyl)-7H-purin-6-amine
PubChem CID114608191
Molecular FormulaC11H8IN5
Molecular Weight337.12 g/mol
Exact Mass336.98
IUPAC Name8-(3-iodophenyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3cccc(I)c3)[nH]c12
InChIInChI=1S/C11H8IN5/c12-7-3-1-2-6(4-7)10-16-8-9(13)14-5-15-11(8)17-10/h1-5H,(H3,13,14,15,16,17)
InChIKeyDNVCRLZFTLTTMY-UHFFFAOYSA-N
XLogP2.21
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234
8-[4-(chloromethyl)phenyl]-7H-purin-6-amine
CID 114608101
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
8-pyren-1-yl-7H-purin-6-amine
CID 16732486
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833

Frequently Asked Questions

What is the IUPAC name of 8-(3-iodophenyl)-7H-purin-6-amine?
The IUPAC name of 8-(3-iodophenyl)-7H-purin-6-amine (CID 114608191) is 8-(3-iodophenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-iodophenyl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-iodophenyl)-7H-purin-6-amine is Nc1ncnc2nc(-c3cccc(I)c3)[nH]c12.
What is the InChIKey of 8-(3-iodophenyl)-7H-purin-6-amine?
The InChIKey is DNVCRLZFTLTTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5/c12-7-3-1-2-6(4-7)10-16-8-9(13)14-5-15-11(8)17-10/h1-5H,(H3,13,14,15,16,17).
What are the key properties of 8-(3-iodophenyl)-7H-purin-6-amine?
8-(3-iodophenyl)-7H-purin-6-amine has a molecular weight of 337.12 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-iodophenyl)-7H-purin-6-amine is sourced from PubChem (CID 114608191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).