4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione

C15H16N4O4 — CID 166490093

IUPAC4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1cc(N)c2c(c1)C(=O)N(N1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H16N4O4/c1-7(2)8-5-9-12(10(16)6-8)14(22)19(13(9)21)18-4-3-11(20)17-15(18)23/h5-7H,3-4,16H2,1-2H3,(H,17,20,23)
InChIKeyKFWQPYTUYSYHEI-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.85
Rot. Bonds2

About 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione

4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione (PubChem CID 166490093) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione
PubChem CID166490093
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1cc(N)c2c(c1)C(=O)N(N1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H16N4O4/c1-7(2)8-5-9-12(10(16)6-8)14(22)19(13(9)21)18-4-3-11(20)17-15(18)23/h5-7H,3-4,16H2,1-2H3,(H,17,20,23)
InChIKeyKFWQPYTUYSYHEI-UHFFFAOYSA-N
XLogP0.85
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-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 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione (CID 166490093) is 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione is CC(C)c1cc(N)c2c(c1)C(=O)N(N1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione?
The InChIKey is KFWQPYTUYSYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-7(2)8-5-9-12(10(16)6-8)14(22)19(13(9)21)18-4-3-11(20)17-15(18)23/h5-7H,3-4,16H2,1-2H3,(H,17,20,23).
What are the key properties of 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione?
4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione has a molecular weight of 316.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,4-dioxo-1,3-diazinan-1-yl)-6-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 166490093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).