6-iodo-7H-purin-2-amine

C5H4IN5 — CID 6101575

IUPAC6-iodo-7H-purin-2-amine
SMILESNc1nc(I)c2[nH]cnc2n1
InChIInChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyCQYPNVKLVHHOSJ-UHFFFAOYSA-N
MW261.03 g/mol
LogP0.54
Rot. Bonds

About 6-iodo-7H-purin-2-amine

6-iodo-7H-purin-2-amine (PubChem CID 6101575) has the molecular formula C5H4IN5 and a molecular weight of 261.03 g/mol. Its IUPAC name is 6-iodo-7H-purin-2-amine.

Molecular Properties

Compound Name6-iodo-7H-purin-2-amine
PubChem CID6101575
Molecular FormulaC5H4IN5
Molecular Weight261.03 g/mol
Exact Mass260.95
IUPAC Name6-iodo-7H-purin-2-amine
SMILESNc1nc(I)c2[nH]cnc2n1
InChIInChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyCQYPNVKLVHHOSJ-UHFFFAOYSA-N
XLogP0.54
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-7H-purin-2-amine?
The IUPAC name of 6-iodo-7H-purin-2-amine (CID 6101575) is 6-iodo-7H-purin-2-amine.
What is the SMILES notation for 6-iodo-7H-purin-2-amine?
The canonical SMILES for 6-iodo-7H-purin-2-amine is Nc1nc(I)c2[nH]cnc2n1.
What is the InChIKey of 6-iodo-7H-purin-2-amine?
The InChIKey is CQYPNVKLVHHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11).
What are the key properties of 6-iodo-7H-purin-2-amine?
6-iodo-7H-purin-2-amine has a molecular weight of 261.03 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7H-purin-2-amine is sourced from PubChem (CID 6101575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).