3-iodopyrazolo[1,5-a]pyrimidin-5-amine

C6H5IN4 — CID 175798682

IUPAC3-iodopyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1ccn2ncc(I)c2n1
InChIInChI=1S/C6H5IN4/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H,(H2,8,10)
InChIKeyDBSNDIUUAQBGTA-UHFFFAOYSA-N
MW260.04 g/mol
LogP0.92
Rot. Bonds

About 3-iodopyrazolo[1,5-a]pyrimidin-5-amine

3-iodopyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 175798682) has the molecular formula C6H5IN4 and a molecular weight of 260.04 g/mol. Its IUPAC name is 3-iodopyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-iodopyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID175798682
Molecular FormulaC6H5IN4
Molecular Weight260.04 g/mol
Exact Mass259.96
IUPAC Name3-iodopyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1ccn2ncc(I)c2n1
InChIInChI=1S/C6H5IN4/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H,(H2,8,10)
InChIKeyDBSNDIUUAQBGTA-UHFFFAOYSA-N
XLogP0.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 50.92
H-Bond Donors ≤ 51
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-iodopyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-iodopyrazolo[1,5-a]pyrimidin-5-amine (CID 175798682) is 3-iodopyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-iodopyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-iodopyrazolo[1,5-a]pyrimidin-5-amine is Nc1ccn2ncc(I)c2n1.
What is the InChIKey of 3-iodopyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DBSNDIUUAQBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN4/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H,(H2,8,10).
What are the key properties of 3-iodopyrazolo[1,5-a]pyrimidin-5-amine?
3-iodopyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 260.04 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 175798682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).