1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H21N5 — CID 121242363

IUPAC1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc2cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C20H21N5/c1-12-5-6-14-10-15(8-7-13(14)9-12)17-16-18(21)22-11-23-19(16)25(24-17)20(2,3)4/h5-11H,1-4H3,(H2,21,22,23)
InChIKeyCUXPLMBFWLCIQW-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.29
Rot. Bonds1

About 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 121242363) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID121242363
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc2cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C20H21N5/c1-12-5-6-14-10-15(8-7-13(14)9-12)17-16-18(21)22-11-23-19(16)25(24-17)20(2,3)4/h5-11H,1-4H3,(H2,21,22,23)
InChIKeyCUXPLMBFWLCIQW-UHFFFAOYSA-N
XLogP4.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 152742610
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
1-tert-butyl-N-methyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162651954
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide
CID 56603447
[6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-2-yl]-(2-fluoroethylamino)methanol
CID 170024085
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 135357641
1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905276
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2-fluoropropyl)-1H-indole-2-carboxamide
CID 167657437
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide
CID 135358131
[6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-2-yl]-(benzylamino)methanol
CID 170024094

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 121242363) is 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc2cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CUXPLMBFWLCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-12-5-6-14-10-15(8-7-13(14)9-12)17-16-18(21)22-11-23-19(16)25(24-17)20(2,3)4/h5-11H,1-4H3,(H2,21,22,23).
What are the key properties of 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 121242363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).