6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H23N5O — CID 70737816

IUPAC6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C15H23N5O/c1-3-21-9-8-16-14-12-10-17-20(2)15(12)19-13(18-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,18,19)
InChIKeyXYSJVKVEVUOQKK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds6

About 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70737816) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70737816
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C15H23N5O/c1-3-21-9-8-16-14-12-10-17-20(2)15(12)19-13(18-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,18,19)
InChIKeyXYSJVKVEVUOQKK-UHFFFAOYSA-N
XLogP2.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
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 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70737816) is 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOCCNc1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XYSJVKVEVUOQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-21-9-8-16-14-12-10-17-20(2)15(12)19-13(18-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,18,19).
What are the key properties of 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70737816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).