5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine

C6H4ClIN4 — CID 23539610

IUPAC5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(Cl)nc2c(I)cnn12
InChIInChI=1S/C6H4ClIN4/c7-4-1-5(9)12-6(11-4)3(8)2-10-12/h1-2H,9H2
InChIKeyZMTBXYKJPGACPY-UHFFFAOYSA-N
MW294.48 g/mol
LogP1.57
Rot. Bonds

About 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23539610) has the molecular formula C6H4ClIN4 and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID23539610
Molecular FormulaC6H4ClIN4
Molecular Weight294.48 g/mol
Exact Mass293.92
IUPAC Name5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(Cl)nc2c(I)cnn12
InChIInChI=1S/C6H4ClIN4/c7-4-1-5(9)12-6(11-4)3(8)2-10-12/h1-2H,9H2
InChIKeyZMTBXYKJPGACPY-UHFFFAOYSA-N
XLogP1.57
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 51.57
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 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine (CID 23539610) is 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(Cl)nc2c(I)cnn12.
What is the InChIKey of 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZMTBXYKJPGACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN4/c7-4-1-5(9)12-6(11-4)3(8)2-10-12/h1-2H,9H2.
What are the key properties of 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.48 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23539610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).