2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

C16H24N6O2 — CID 71223493

IUPAC2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCOCC1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)15(23)20-13-12-10-19-22(14(12)18-11-17-13)5-4-21-6-8-24-9-7-21/h10-11H,4-9H2,1-3H3,(H,17,18,20,23)
InChIKeyHQONXBAIXOPITF-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.14
Rot. Bonds4

About 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (PubChem CID 71223493) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
PubChem CID71223493
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCOCC1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)15(23)20-13-12-10-19-22(14(12)18-11-17-13)5-4-21-6-8-24-9-7-21/h10-11H,4-9H2,1-3H3,(H,17,18,20,23)
InChIKeyHQONXBAIXOPITF-UHFFFAOYSA-N
XLogP1.14
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (CID 71223493) is 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The InChIKey is HQONXBAIXOPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,3)15(23)20-13-12-10-19-22(14(12)18-11-17-13)5-4-21-6-8-24-9-7-21/h10-11H,4-9H2,1-3H3,(H,17,18,20,23).
What are the key properties of 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide has a molecular weight of 332.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 71223493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).