2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione

C13H15N3O2 — CID 136951888

IUPAC2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione
SMILESCC(C)C1C(=O)NC(=Nc2ccccc2)NC1=O
InChIInChI=1S/C13H15N3O2/c1-8(2)10-11(17)15-13(16-12(10)18)14-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,14,15,16,17,18)
InChIKeyDCGVVYBMXPWFEH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds2

About 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione

2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione (PubChem CID 136951888) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione
PubChem CID136951888
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione
SMILESCC(C)C1C(=O)NC(=Nc2ccccc2)NC1=O
InChIInChI=1S/C13H15N3O2/c1-8(2)10-11(17)15-13(16-12(10)18)14-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,14,15,16,17,18)
InChIKeyDCGVVYBMXPWFEH-UHFFFAOYSA-N
XLogP1.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-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 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione?
The IUPAC name of 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione (CID 136951888) is 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione.
What is the SMILES notation for 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione?
The canonical SMILES for 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione is CC(C)C1C(=O)NC(=Nc2ccccc2)NC1=O.
What is the InChIKey of 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione?
The InChIKey is DCGVVYBMXPWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)10-11(17)15-13(16-12(10)18)14-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione?
2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione has a molecular weight of 245.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione is sourced from PubChem (CID 136951888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).