1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5O — CID 661080

IUPAC1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H21N5O/c1-13(2)23-10-6-9-18-16-15-11-21-22(17(15)20-12-19-16)14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyMOSZDNKNHYZIFJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.04
Rot. Bonds7

About 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661080) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661080
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H21N5O/c1-13(2)23-10-6-9-18-16-15-11-21-22(17(15)20-12-19-16)14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyMOSZDNKNHYZIFJ-UHFFFAOYSA-N
XLogP3.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661080) is 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MOSZDNKNHYZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13(2)23-10-6-9-18-16-15-11-21-22(17(15)20-12-19-16)14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).