3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C8H10IN5 — CID 24905337

IUPAC3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(I)c2c(N)ncnc21
InChIInChI=1S/C8H10IN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyOZULUFUHMFFLQF-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.59
Rot. Bonds1

About 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905337) has the molecular formula C8H10IN5 and a molecular weight of 303.11 g/mol. Its IUPAC name is 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905337
Molecular FormulaC8H10IN5
Molecular Weight303.11 g/mol
Exact Mass303.00
IUPAC Name3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(I)c2c(N)ncnc21
InChIInChI=1S/C8H10IN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyOZULUFUHMFFLQF-UHFFFAOYSA-N
XLogP1.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
3-iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 1519489
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708
2-Heptyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 11253284
1-Cyclohexyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227510
N,1-dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 219753

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905337) is 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(I)c2c(N)ncnc21.
What is the InChIKey of 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OZULUFUHMFFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).