N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H8IN5 — CID 879999

IUPACN-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESIc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKeyQSDMHOAEIDKWQL-UHFFFAOYSA-N
MW337.12 g/mol
LogP2.70
Rot. Bonds2

About N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 879999) has the molecular formula C11H8IN5 and a molecular weight of 337.12 g/mol. Its IUPAC name is N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID879999
Molecular FormulaC11H8IN5
Molecular Weight337.12 g/mol
Exact Mass336.98
IUPAC NameN-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESIc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKeyQSDMHOAEIDKWQL-UHFFFAOYSA-N
XLogP2.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 52.70
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 N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 879999) is N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Ic1ccc(Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QSDMHOAEIDKWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17).
What are the key properties of N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 337.12 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 879999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).