1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5 — CID 53345580

IUPAC1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C17H21N5/c1-10(2)12-5-7-13(8-6-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)
InChIKeyRZJSWJLAOYUVRB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.78
Rot. Bonds3

About 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 53345580) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID53345580
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C17H21N5/c1-10(2)12-5-7-13(8-6-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)
InChIKeyRZJSWJLAOYUVRB-UHFFFAOYSA-N
XLogP3.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 53345580) is 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)c1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RZJSWJLAOYUVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-10(2)12-5-7-13(8-6-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20).
What are the key properties of 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53345580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).