6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione

C14H16N6O2 — CID 139145186

IUPAC6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione
SMILESNc1nc(N)nc(-c2ccccc2)n1.O=C1CCCC(=O)N1
InChIInChI=1S/C9H9N5.C5H7NO2/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;7-4-2-1-3-5(8)6-4/h1-5H,(H4,10,11,12,13,14);1-3H2,(H,6,7,8)
InChIKeyTUAVWOVZHSEZTK-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.52
Rot. Bonds1

About 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione

6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione (PubChem CID 139145186) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione.

Molecular Properties

Compound Name6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione
PubChem CID139145186
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione
SMILESNc1nc(N)nc(-c2ccccc2)n1.O=C1CCCC(=O)N1
InChIInChI=1S/C9H9N5.C5H7NO2/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;7-4-2-1-3-5(8)6-4/h1-5H,(H4,10,11,12,13,14);1-3H2,(H,6,7,8)
InChIKeyTUAVWOVZHSEZTK-UHFFFAOYSA-N
XLogP0.52
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione?
The IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione (CID 139145186) is 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione.
What is the SMILES notation for 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione?
The canonical SMILES for 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione is Nc1nc(N)nc(-c2ccccc2)n1.O=C1CCCC(=O)N1.
What is the InChIKey of 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione?
The InChIKey is TUAVWOVZHSEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5.C5H7NO2/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;7-4-2-1-3-5(8)6-4/h1-5H,(H4,10,11,12,13,14);1-3H2,(H,6,7,8).
What are the key properties of 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione?
6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione has a molecular weight of 300.32 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione is sourced from PubChem (CID 139145186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).