3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C5H4IN5 — CID 68516655

IUPAC3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1ncnc2c(I)[nH]nc12
InChIInChI=1S/C5H4IN5/c6-4-2-3(10-11-4)5(7)9-1-8-2/h1H,(H,10,11)(H2,7,8,9)
InChIKeyYURNROUZWRPFAP-UHFFFAOYSA-N
MW261.03 g/mol
LogP0.54
Rot. Bonds

About 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine

3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 68516655) has the molecular formula C5H4IN5 and a molecular weight of 261.03 g/mol. Its IUPAC name is 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID68516655
Molecular FormulaC5H4IN5
Molecular Weight261.03 g/mol
Exact Mass260.95
IUPAC Name3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1ncnc2c(I)[nH]nc12
InChIInChI=1S/C5H4IN5/c6-4-2-3(10-11-4)5(7)9-1-8-2/h1H,(H,10,11)(H2,7,8,9)
InChIKeyYURNROUZWRPFAP-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 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 68516655) is 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine is Nc1ncnc2c(I)[nH]nc12.
What is the InChIKey of 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is YURNROUZWRPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN5/c6-4-2-3(10-11-4)5(7)9-1-8-2/h1H,(H,10,11)(H2,7,8,9).
What are the key properties of 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-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 3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 68516655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).