N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6O — CID 8547141

IUPACN-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3ccccc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H20N6O/c1-22-16-14(12-19-22)15(18-11-13-5-3-2-4-6-13)20-17(21-16)23-7-9-24-10-8-23/h2-6,12H,7-11H2,1H3,(H,18,20,21)
InChIKeyJGMDTORYFCXYLK-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.81
Rot. Bonds4

About N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 8547141) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID8547141
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3ccccc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H20N6O/c1-22-16-14(12-19-22)15(18-11-13-5-3-2-4-6-13)20-17(21-16)23-7-9-24-10-8-23/h2-6,12H,7-11H2,1H3,(H,18,20,21)
InChIKeyJGMDTORYFCXYLK-UHFFFAOYSA-N
XLogP1.81
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 8547141) is N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3ccccc3)nc(N3CCOCC3)nc21.
What is the InChIKey of N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JGMDTORYFCXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-16-14(12-19-22)15(18-11-13-5-3-2-4-6-13)20-17(21-16)23-7-9-24-10-8-23/h2-6,12H,7-11H2,1H3,(H,18,20,21).
What are the key properties of N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 8547141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).