N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5 — CID 51476762

IUPACN-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1
InChIInChI=1S/C17H21N5/c1-5-13(4)21-16-15-9-20-22(17(15)19-10-18-16)14-7-6-11(2)12(3)8-14/h6-10,13H,5H2,1-4H3,(H,18,19,21)/t13-/m1/s1
InChIKeyRWLWBJFBBQCKFH-CYBMUJFWSA-N
MW295.39 g/mol
LogP3.64
Rot. Bonds4

About N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 51476762) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID51476762
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1
InChIInChI=1S/C17H21N5/c1-5-13(4)21-16-15-9-20-22(17(15)19-10-18-16)14-7-6-11(2)12(3)8-14/h6-10,13H,5H2,1-4H3,(H,18,19,21)/t13-/m1/s1
InChIKeyRWLWBJFBBQCKFH-CYBMUJFWSA-N
XLogP3.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 51476762) is N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RWLWBJFBBQCKFH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5/c1-5-13(4)21-16-15-9-20-22(17(15)19-10-18-16)14-7-6-11(2)12(3)8-14/h6-10,13H,5H2,1-4H3,(H,18,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 51476762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).