N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H19N5 — CID 63266231

IUPACN-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2CCCc1ccccc1
InChIInChI=1S/C16H19N5/c1-2-17-15-14-11-20-21(16(14)19-12-18-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,17,18,19)
InChIKeyUBGKVAIWSCCOND-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.89
Rot. Bonds6

About N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63266231) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63266231
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2CCCc1ccccc1
InChIInChI=1S/C16H19N5/c1-2-17-15-14-11-20-21(16(14)19-12-18-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,17,18,19)
InChIKeyUBGKVAIWSCCOND-UHFFFAOYSA-N
XLogP2.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63266231) is N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1ncnc2c1cnn2CCCc1ccccc1.
What is the InChIKey of N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UBGKVAIWSCCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-17-15-14-11-20-21(16(14)19-12-18-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63266231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).