6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine

C17H17N7 — CID 24905232

IUPAC6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine
SMILESCC(C)n1nc(-c2ccc3nc(N)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H17N7/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)11-3-5-12-10(7-11)4-6-13(18)22-12/h3-9H,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKeyZGBQFYGLPMXTSZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.79
Rot. Bonds2

About 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine

6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine (PubChem CID 24905232) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine
PubChem CID24905232
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine
SMILESCC(C)n1nc(-c2ccc3nc(N)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H17N7/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)11-3-5-12-10(7-11)4-6-13(18)22-12/h3-9H,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKeyZGBQFYGLPMXTSZ-UHFFFAOYSA-N
XLogP2.79
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine?
The IUPAC name of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine (CID 24905232) is 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine.
What is the SMILES notation for 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine?
The canonical SMILES for 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine is CC(C)n1nc(-c2ccc3nc(N)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine?
The InChIKey is ZGBQFYGLPMXTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)11-3-5-12-10(7-11)4-6-13(18)22-12/h3-9H,1-2H3,(H2,18,22)(H2,19,20,21).
What are the key properties of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine?
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2-amine is sourced from PubChem (CID 24905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).