N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6O — CID 661000

IUPACN-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C17H20N6O/c1-2-4-14(5-3-1)23-17-15(12-21-23)16(19-13-20-17)18-6-7-22-8-10-24-11-9-22/h1-5,12-13H,6-11H2,(H,18,19,20)
InChIKeyGHJDYGQXQLBVPZ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.56
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661000) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661000
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C17H20N6O/c1-2-4-14(5-3-1)23-17-15(12-21-23)16(19-13-20-17)18-6-7-22-8-10-24-11-9-22/h1-5,12-13H,6-11H2,(H,18,19,20)
InChIKeyGHJDYGQXQLBVPZ-UHFFFAOYSA-N
XLogP1.56
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 661000) is N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GHJDYGQXQLBVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-4-14(5-3-1)23-17-15(12-21-23)16(19-13-20-17)18-6-7-22-8-10-24-11-9-22/h1-5,12-13H,6-11H2,(H,18,19,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).