1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H19N5 — CID 57196440

IUPAC1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Cc1ccccc1)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H19N5/c1-15(12-16-8-4-2-5-9-16)24-19-18-13-23-25(20(18)22-14-21-19)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,22,24)/t15-/m0/s1
InChIKeyQMHBUCYZUCQPGG-HNNXBMFYSA-N
MW329.41 g/mol
LogP3.86
Rot. Bonds5

About 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57196440) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57196440
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Cc1ccccc1)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H19N5/c1-15(12-16-8-4-2-5-9-16)24-19-18-13-23-25(20(18)22-14-21-19)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,22,24)/t15-/m0/s1
InChIKeyQMHBUCYZUCQPGG-HNNXBMFYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 57196440) is 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is C[C@@H](Cc1ccccc1)Nc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QMHBUCYZUCQPGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15(12-16-8-4-2-5-9-16)24-19-18-13-23-25(20(18)22-14-21-19)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,22,24)/t15-/m0/s1.
What are the key properties of 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57196440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).