4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde

C9H11N5O — CID 127263706

IUPAC4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c(N)ncnc21
InChIInChI=1S/C9H11N5O/c1-5(2)14-9-7(6(3-15)13-14)8(10)11-4-12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyMACOAQNDRNUSKY-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde

4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde (PubChem CID 127263706) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde
PubChem CID127263706
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c(N)ncnc21
InChIInChI=1S/C9H11N5O/c1-5(2)14-9-7(6(3-15)13-14)8(10)11-4-12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyMACOAQNDRNUSKY-UHFFFAOYSA-N
XLogP0.80
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
The IUPAC name of 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde (CID 127263706) is 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde is CC(C)n1nc(C=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
The InChIKey is MACOAQNDRNUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5(2)14-9-7(6(3-15)13-14)8(10)11-4-12-9/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde has a molecular weight of 205.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 127263706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).