6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione

C13H16N2O2 — CID 59370437

IUPAC6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C13H16N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)
InChIKeyVHYMOWFXASTJLP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.08
Rot. Bonds2

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

6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 59370437) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID59370437
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C13H16N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)
InChIKeyVHYMOWFXASTJLP-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione (CID 59370437) is 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione is CC(C)N1C(=O)CC(c2ccccc2)NC1=O.
What is the InChIKey of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is VHYMOWFXASTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17).
What are the key properties of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 59370437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).