1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine

C11H15IN6 — CID 22346700

IUPAC1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2C1CCC(N)CC1
InChIInChI=1S/C11H15IN6/c12-9-8-10(14)15-5-16-11(8)18(17-9)7-3-1-6(13)2-4-7/h5-7H,1-4,13H2,(H2,14,15,16)
InChIKeyOYFZEXAUPQVCHI-UHFFFAOYSA-N
MW358.19 g/mol
LogP1.46
Rot. Bonds1

About 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine

1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 22346700) has the molecular formula C11H15IN6 and a molecular weight of 358.19 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID22346700
Molecular FormulaC11H15IN6
Molecular Weight358.19 g/mol
Exact Mass358.04
IUPAC Name1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2C1CCC(N)CC1
InChIInChI=1S/C11H15IN6/c12-9-8-10(14)15-5-16-11(8)18(17-9)7-3-1-6(13)2-4-7/h5-7H,1-4,13H2,(H2,14,15,16)
InChIKeyOYFZEXAUPQVCHI-UHFFFAOYSA-N
XLogP1.46
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine (CID 22346700) is 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(I)nn2C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OYFZEXAUPQVCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN6/c12-9-8-10(14)15-5-16-11(8)18(17-9)7-3-1-6(13)2-4-7/h5-7H,1-4,13H2,(H2,14,15,16).
What are the key properties of 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 358.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 22346700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).