1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione

C13H16N6O2 — CID 63220998

IUPAC1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
SMILESCCNc1nc(CN2C(=O)CCC2=O)nc2c1cnn2C
InChIInChI=1S/C13H16N6O2/c1-3-14-12-8-6-15-18(2)13(8)17-9(16-12)7-19-10(20)4-5-11(19)21/h6H,3-5,7H2,1-2H3,(H,14,16,17)
InChIKeyDKOVDKVKBSJYJJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.44
Rot. Bonds4

About 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione

1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 63220998) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
PubChem CID63220998
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
SMILESCCNc1nc(CN2C(=O)CCC2=O)nc2c1cnn2C
InChIInChI=1S/C13H16N6O2/c1-3-14-12-8-6-15-18(2)13(8)17-9(16-12)7-19-10(20)4-5-11(19)21/h6H,3-5,7H2,1-2H3,(H,14,16,17)
InChIKeyDKOVDKVKBSJYJJ-UHFFFAOYSA-N
XLogP0.44
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione (CID 63220998) is 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione is CCNc1nc(CN2C(=O)CCC2=O)nc2c1cnn2C.
What is the InChIKey of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is DKOVDKVKBSJYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-3-14-12-8-6-15-18(2)13(8)17-9(16-12)7-19-10(20)4-5-11(19)21/h6H,3-5,7H2,1-2H3,(H,14,16,17).
What are the key properties of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione?
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 288.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 63220998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).