6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6O — CID 171359434

IUPAC6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(N3CCO[C@@H](Cc4ccccc4)C3)nc21
InChIInChI=1S/C17H20N6O/c1-22-16-14(10-19-22)15(18)20-17(21-16)23-7-8-24-13(11-23)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H2,18,20,21)/t13-/m0/s1
InChIKeyHESLTTCYGOVHCS-ZDUSSCGKSA-N
MW324.39 g/mol
LogP1.39
Rot. Bonds3

About 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 171359434) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID171359434
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(N3CCO[C@@H](Cc4ccccc4)C3)nc21
InChIInChI=1S/C17H20N6O/c1-22-16-14(10-19-22)15(18)20-17(21-16)23-7-8-24-13(11-23)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H2,18,20,21)/t13-/m0/s1
InChIKeyHESLTTCYGOVHCS-ZDUSSCGKSA-N
XLogP1.39
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 171359434) is 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(N3CCO[C@@H](Cc4ccccc4)C3)nc21.
What is the InChIKey of 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HESLTTCYGOVHCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-16-14(10-19-22)15(18)20-17(21-16)23-7-8-24-13(11-23)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H2,18,20,21)/t13-/m0/s1.
What are the key properties of 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 171359434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).