9-iodo-N,N-dimethylpurin-2-amine

C7H8IN5 — CID 163773168

IUPAC9-iodo-N,N-dimethylpurin-2-amine
SMILESCN(C)c1ncc2ncn(I)c2n1
InChIInChI=1S/C7H8IN5/c1-12(2)7-9-3-5-6(11-7)13(8)4-10-5/h3-4H,1-2H3
InChIKeyMIDQJYTXUWJPFP-UHFFFAOYSA-N
MW289.08 g/mol
LogP1.09
Rot. Bonds1

About 9-iodo-N,N-dimethylpurin-2-amine

9-iodo-N,N-dimethylpurin-2-amine (PubChem CID 163773168) has the molecular formula C7H8IN5 and a molecular weight of 289.08 g/mol. Its IUPAC name is 9-iodo-N,N-dimethylpurin-2-amine.

Molecular Properties

Compound Name9-iodo-N,N-dimethylpurin-2-amine
PubChem CID163773168
Molecular FormulaC7H8IN5
Molecular Weight289.08 g/mol
Exact Mass288.98
IUPAC Name9-iodo-N,N-dimethylpurin-2-amine
SMILESCN(C)c1ncc2ncn(I)c2n1
InChIInChI=1S/C7H8IN5/c1-12(2)7-9-3-5-6(11-7)13(8)4-10-5/h3-4H,1-2H3
InChIKeyMIDQJYTXUWJPFP-UHFFFAOYSA-N
XLogP1.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-N,N-dimethylpurin-2-amine?
The IUPAC name of 9-iodo-N,N-dimethylpurin-2-amine (CID 163773168) is 9-iodo-N,N-dimethylpurin-2-amine.
What is the SMILES notation for 9-iodo-N,N-dimethylpurin-2-amine?
The canonical SMILES for 9-iodo-N,N-dimethylpurin-2-amine is CN(C)c1ncc2ncn(I)c2n1.
What is the InChIKey of 9-iodo-N,N-dimethylpurin-2-amine?
The InChIKey is MIDQJYTXUWJPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN5/c1-12(2)7-9-3-5-6(11-7)13(8)4-10-5/h3-4H,1-2H3.
What are the key properties of 9-iodo-N,N-dimethylpurin-2-amine?
9-iodo-N,N-dimethylpurin-2-amine has a molecular weight of 289.08 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-N,N-dimethylpurin-2-amine is sourced from PubChem (CID 163773168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).